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

Systemtic Name: 1,3-dimethyl-5H-pyrido[4,3-b]indol-2-ium-2-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 1,3-dimethyl-5H-pyrido[4,3-b]indol-2-ium-2-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 1,3-dimethyl-5H-pyrido[4,3-b]indol-2-ium-2-amine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 1,3-dimethyl-5H-pyrido[4,3-b]indol-2-ium-2-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (1,3-dimethyl-5H-pyrid[4,3-b]indol-2-ium-2-yl)amine; 2,4,6-trimethylbesylate Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=[N+](C(=C2C3=CC=CC=C3NC2=C1)C)N

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=[N+](C(=C2C3=CC=CC=C3NC2=C1)C)N

InChI

InChI=1S/C13H13N3.C9H12O3S/c1-8-7-12-13(9(2)16(8)14)10-5-3-4-6-11(10)15-12;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h3-7H,14H2,1-2H3;4-5H,1-3H3,(H,10,11,12)