5-[(3,4-dimethoxyphenyl)amino]-7-methyl-benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; 4-methylbenzenesulfonic acid

Systemtic Name: 5-[(3,4-dimethoxyphenyl)amino]-7-methyl-benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; 4-methylbenzenesulfonic acid Openeye Name: 5-(3,4-dimethoxyanilino)-7-methyl-benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; 4-methylbenzenesulfonic acid CAS Name: 5-(3,4-dimethoxyanilino)-7-methyl-6-benzimidazolo[1,2-a]quinolin-12-iumcarbonitrile; 4-methylbenzenesulfonic acid IUPAC Name: 5-(3,4-dimethoxyanilino)-7-methylbenzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; 4-methylbenzenesulfonic acid Traditional Name: 5-(3,4-dimethoxyanilino)-7-methyl-benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; tosylic acid Formula: C32H29N4O5S+ MolecularWeight: 581.66146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN1C2=CC=CC=C2[N+]3=C1C(=C(C4=CC=CC=C43)NC5=CC(=C(C=C5)OC)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN1C2=CC=CC=C2[N+]3=C1C(=C(C4=CC=CC=C43)NC5=CC(=C(C=C5)OC)OC)C#N

InChI

InChI=1S/C25H20N4O2.C7H8O3S/c1-28-20-10-6-7-11-21(20)29-19-9-5-4-8-17(19)24(18(15-26)25(28)29)27-16-12-13-22(30-2)23(14-16)31-3;1-6-2-4-7(5-3-6)11(8,9)10/h4-14H,1-3H3;2-5H,1H3,(H,8,9,10)/p+1