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

Systemtic Name: 2-butyl-3-methyl-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-butyl-3-methyl-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-butyl-3-methyl-1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-butyl-3-methyl-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-butyl-3-methyl-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C32H34N5+ MolecularWeight: 488.64586

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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=CC6=CC=CC=C65

Isomeric SMILES

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C32H33N5/c1-3-4-13-26-23(2)28(21-33)31-34-29-15-7-8-16-30(29)37(31)32(26)36-19-17-35(18-20-36)22-25-12-9-11-24-10-5-6-14-27(24)25/h5-12,14-16H,3-4,13,17-20,22H2,1-2H3/p+1