9-[(2-methoxyphenyl)amino]-7-phenyl-5-phenylazanyl-10-sulfo-6,12,12a,12b-tetrahydrobenzo[a]phenazin-7-ium-4-sulfonate; nonadecan-10-amine

Systemtic Name: 9-[(2-methoxyphenyl)amino]-7-phenyl-5-phenylazanyl-10-sulfo-6,12,12a,12b-tetrahydrobenzo[a]phenazin-7-ium-4-sulfonate; nonadecan-10-amine Openeye Name: 5-anilino-9-(2-methoxyanilino)-7-phenyl-10-sulfo-6,12,12a,12b-tetrahydrobenzo[a]phenazin-7-ium-4-sulfonate; nonadecan-10-amine CAS Name: 5-anilino-9-(2-methoxyanilino)-7-phenyl-10-sulfo-6,12,12a,12b-tetrahydrobenzo[a]phenazin-7-ium-4-sulfonate; 10-nonadecanamine IUPAC Name: 5-anilino-9-(2-methoxyanilino)-7-phenyl-10-sulfo-6,12,12a,12b-tetrahydrobenzo[a]phenazin-7-ium-4-sulfonate; nonadecan-10-amine Traditional Name: 5-anilino-9-(o-anisidino)-7-phenyl-10-sulfo-6,12,12a,12b-tetrahydrobenzo[a]phenazin-7-ium-4-sulfonate; 1-nonyldecylamine Formula: C54H71N5O7S2 MolecularWeight: 966.30084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCCC)N.COC1=CC=CC=C1NC2=C(C=C3C(=C2)[N+](=C4CC(=C5C(C4N3)C=CC=C5S(=O)(=O)[O-])NC6=CC=CC=C6)C7=CC=CC=C7)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCCC)N.COC1=CC=CC=C1NC2=C(C=C3C(=C2)[N+](=C4CC(=C5C(C4N3)C=CC=C5S(=O)(=O)[O-])NC6=CC=CC=C6)C7=CC=CC=C7)S(=O)(=O)O

InChI

InChI=1S/C35H30N4O7S2.C19H41N/c1-46-31-17-9-8-16-25(31)37-27-19-29-26(21-33(27)48(43,44)45)38-35-24-15-10-18-32(47(40,41)42)34(24)28(36-22-11-4-2-5-12-22)20-30(35)39(29)23-13-6-3-7-14-23;1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h2-19,21,24,35-38H,20H2,1H3,(H-,40,41,42,43,44,45);19H,3-18,20H2,1-2H3