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

Systemtic Name: 3-methyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-2-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-2-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H30N5+ MolecularWeight: 424.5606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N5/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/h4-8,10-13H,3,9,14-17,19H2,1-2H3/p+1