1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indol-2-ium-2-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indol-2-ium-2-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indol-2-ium-2-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indol-2-ium-2-amine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indol-2-ium-2-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (1,3,7,8-tetramethyl-5H-pyrid[4,3-b]indol-2-ium-2-yl)amine; 2,4,6-trimethylbesylate Formula: C24H29N3O3S MolecularWeight: 439.57036

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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([N+](=C(C=C3N2)C)N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=C(C=C2C(=C1)C3=C([N+](=C(C=C3N2)C)N)C)C

InChI

InChI=1S/C15H17N3.C9H12O3S/c1-8-5-12-13(6-9(8)2)17-14-7-10(3)18(16)11(4)15(12)14;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h5-7H,16H2,1-4H3;4-5H,1-3H3,(H,10,11,12)