2,4,6-trimethylbenzenesulfonate; 6,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium-5-amine

Systemtic Name: 2,4,6-trimethylbenzenesulfonate; 6,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium-5-amine Openeye Name: 2,4,6-trimethylbenzenesulfonate; 6,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium-5-amine CAS Name: 2,4,6-trimethylbenzenesulfonate; 6,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium-5-amine IUPAC Name: 2,4,6-trimethylbenzenesulfonate; 6,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium-5-amine Traditional Name: 2,4,6-trimethylbesylate; (6,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium-5-yl)amine Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=C(C=C2C(=C1)C3=C(N2)C4=CC=CC=C4[N+](=C3C)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=C(C=C2C(=C1)C3=C(N2)C4=CC=CC=C4[N+](=C3C)N)C

InChI

InChI=1S/C18H17N3.C9H12O3S/c1-10-8-14-15(9-11(10)2)20-18-13-6-4-5-7-16(13)21(19)12(3)17(14)18;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-9H,19H2,1-3H3;4-5H,1-3H3,(H,10,11,12)