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

Systemtic Name: 2-butyl-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-butyl-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-butyl-1-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-butyl-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-butyl-1-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C28H31ClN5+ MolecularWeight: 473.03224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H30ClN5/c1-3-4-7-23-20(2)24(18-30)27-31-25-8-5-6-9-26(25)34(27)28(23)33-16-14-32(15-17-33)19-21-10-12-22(29)13-11-21/h5-6,8-13H,3-4,7,14-17,19H2,1-2H3/p+1