nonadecan-10-amine; 7-phenyl-5,9-bis(phenylazanyl)-10-sulfo-6,12-dihydrobenzo[a]phenazin-7-ium-4-sulfonate

Systemtic Name: nonadecan-10-amine; 7-phenyl-5,9-bis(phenylazanyl)-10-sulfo-6,12-dihydrobenzo[a]phenazin-7-ium-4-sulfonate Openeye Name: 5,9-dianilino-7-phenyl-10-sulfo-6,12-dihydrobenzo[a]phenazin-7-ium-4-sulfonate; nonadecan-10-amine CAS Name: 5,9-dianilino-7-phenyl-10-sulfo-6,12-dihydrobenzo[a]phenazin-7-ium-4-sulfonate; 10-nonadecanamine IUPAC Name: 5,9-dianilino-7-phenyl-10-sulfo-6,12-dihydrobenzo[a]phenazin-7-ium-4-sulfonate; nonadecan-10-amine Traditional Name: 5,9-dianilino-7-phenyl-10-sulfo-6,12-dihydrobenzo[a]phenazin-7-ium-4-sulfonate; 1-nonyldecylamine Formula: C53H67N5O6S2 MolecularWeight: 934.25898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCCC)N.C1C(=C2C(=C3C1=[N+](C4=CC(=C(C=C4N3)S(=O)(=O)O)NC5=CC=CC=C5)C6=CC=CC=C6)C=CC=C2S(=O)(=O)[O-])NC7=CC=CC=C7

Isomeric SMILES

CCCCCCCCCC(CCCCCCCCC)N.C1C(=C2C(=C3C1=[N+](C4=CC(=C(C=C4N3)S(=O)(=O)O)NC5=CC=CC=C5)C6=CC=CC=C6)C=CC=C2S(=O)(=O)[O-])NC7=CC=CC=C7

InChI

InChI=1S/C34H26N4O6S2.C19H41N/c39-45(40,41)31-18-10-17-25-33(31)28(36-23-13-6-2-7-14-23)20-30-34(25)37-26-21-32(46(42,43)44)27(35-22-11-4-1-5-12-22)19-29(26)38(30)24-15-8-3-9-16-24;1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h1-19,21,35,37H,20H2,(H2,39,40,41,42,43,44);19H,3-18,20H2,1-2H3