5-(3-imidazol-1-ylpropylamino)-7-methyl-benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; 4-methylbenzenesulfonate

Systemtic Name: 5-(3-imidazol-1-ylpropylamino)-7-methyl-benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; 4-methylbenzenesulfonate Openeye Name: 5-(3-imidazol-1-ylpropylamino)-7-methyl-benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; 4-methylbenzenesulfonate CAS Name: 5-[3-(1-imidazolyl)propylamino]-7-methyl-6-benzimidazolo[1,2-a]quinolin-12-iumcarbonitrile; 4-methylbenzenesulfonate IUPAC Name: 5-(3-imidazol-1-ylpropylamino)-7-methylbenzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; 4-methylbenzenesulfonate Traditional Name: 5-(3-imidazol-1-ylpropylamino)-7-methyl-benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile tosylate Formula: C30H28N6O3S MolecularWeight: 552.64672

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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)NCCCN5C=CN=C5)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)NCCCN5C=CN=C5)C#N

InChI

InChI=1S/C23H20N6.C7H8O3S/c1-27-20-9-4-5-10-21(20)29-19-8-3-2-7-17(19)22(18(15-24)23(27)29)26-11-6-13-28-14-12-25-16-28;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,7-10,12,14,16H,6,11,13H2,1H3;2-5H,1H3,(H,8,9,10)