2H-Naphth[2,3-f]isoindole-2-propanaminium, 4,11-diamino-1,3,5,10-tetrahydro-N,N,N-trimethyl-1,3,5,10-tetraoxo-, methyl sulfate

65059-99-6

CAS Name

2H-Naphth[2,3-f]isoindole-2-propanaminium, 4,11-diamino-1,3,5,10-tetrahydro-N,N,N-trimethyl-1,3,5,10-tetraoxo-, methyl sulfate (1:1)

Molecular Formula

C₂₂H₂₃N₄O₄.CH₃O₄S

Other Names and Identifiers

InChI

InChI=1S/C22H22N4O4.CH4O4S/c1-26(2,3)10-6-9-25-21(29)15-16(22(25)30)18(24)14-13(17(15)23)19(27)11-7-4-5-8-12(11)20(14)28;1-5-6(2,3)4/h4-5,7-8H,6,9-10H2,1-3H3,(H3-,23,24,27,28,29,30);1H3,(H,2,3,4)

InChIKey

InChIKey=RIWDLBNPZORBAT-UHFFFAOYSA-N

SMILES

NC1=C2C(=C(N)C3=C1C(=O)N(CCC[N+](C)(C)C)C3=O)C(=O)C=4C(C2=O)=CC=CC4.S(OC)(=O)(=O)[O-]

Canonical SMILES

O=C1C=2C=CC=CC2C(=O)C=3C(N)=C4C(=O)N(C(=O)C4=C(N)C13)CCC[N+](C)(C)C.O=S(=O)([O-])OC

Other Names for this Substance