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

Systemtic Name: 3-methyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-prop-2-enyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-allyl-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-prop-2-enyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-allyl-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H28N5+ MolecularWeight: 422.54472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)N4CC[NH+](CC4)CC5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)N4CC[NH+](CC4)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C27H27N5/c1-3-9-22-20(2)23(18-28)26-29-24-12-7-8-13-25(24)32(26)27(22)31-16-14-30(15-17-31)19-21-10-5-4-6-11-21/h3-8,10-13H,1,9,14-17,19H2,2H3/p+1