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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C30H28N5+ MolecularWeight: 458.57682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C#N

InChI

InChI=1S/C30H27N5/c1-22-20-28(35-27-15-9-8-14-26(27)32-30(35)25(22)21-31)33-16-18-34(19-17-33)29(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,20,29H,16-19H2,1H3/p+1