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

Systemtic Name: 4-methylbenzenesulfonic acid; 7-methyl-5-(3-morpholin-4-ylpropylamino)benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile Openeye Name: 4-methylbenzenesulfonic acid; 7-methyl-5-(3-morpholinopropylamino)benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile CAS Name: 4-methylbenzenesulfonic acid; 7-methyl-5-[3-(4-morpholinyl)propylamino]-6-benzimidazolo[1,2-a]quinolin-12-iumcarbonitrile IUPAC Name: 4-methylbenzenesulfonic acid; 7-methyl-5-(3-morpholin-4-ylpropylamino)benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile Traditional Name: 7-methyl-5-(3-morpholinopropylamino)benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; tosylic acid Formula: C31H34N5O4S+ MolecularWeight: 572.69776

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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)NCCCN5CCOCC5)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)NCCCN5CCOCC5)C#N

InChI

InChI=1S/C24H25N5O.C7H8O3S/c1-27-21-9-4-5-10-22(21)29-20-8-3-2-7-18(20)23(19(17-25)24(27)29)26-11-6-12-28-13-15-30-16-14-28;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,7-10H,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/p+1