1-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propylamino]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H31N6O+ MolecularWeight: 455.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCC[NH+]4CCN(CC4)C5=CC=C(C=C5)OC)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCC[NH+]4CCN(CC4)C5=CC=C(C=C5)OC)C#N

InChI

InChI=1S/C27H30N6O/c1-20-18-26(33-25-7-4-3-6-24(25)30-27(33)23(20)19-28)29-12-5-13-31-14-16-32(17-15-31)21-8-10-22(34-2)11-9-21/h3-4,6-11,18,29H,5,12-17H2,1-2H3/p+1