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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C26H28N5+ MolecularWeight: 410.53402

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CC5=CC=CC=C5)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C26H27N5/c1-2-8-21-17-25(30-15-13-29(14-16-30)19-20-9-4-3-5-10-20)31-24-12-7-6-11-23(24)28-26(31)22(21)18-27/h3-7,9-12,17H,2,8,13-16,19H2,1H3/p+1