3-methyl-2-(3-methylbutyl)-1-(4-phenethylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-(4-phenethylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-isopentyl-3-methyl-1-(4-phenethylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-2-(3-methylbutyl)-1-(4-phenethyl-1-piperazin-4-iumyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-2-(3-methylbutyl)-1-(4-phenethylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-isoamyl-3-methyl-1-(4-phenethylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C30H36N5+ MolecularWeight: 466.64034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(C)C)N4CC[NH+](CC4)CCC5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(C)C)N4CC[NH+](CC4)CCC5=CC=CC=C5)C#N

InChI

InChI=1S/C30H35N5/c1-22(2)13-14-25-23(3)26(21-31)29-32-27-11-7-8-12-28(27)35(29)30(25)34-19-17-33(18-20-34)16-15-24-9-5-4-6-10-24/h4-12,22H,13-20H2,1-3H3/p+1