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

Systemtic Name: 1-[2-(azepan-1-ium-1-yl)ethylamino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[2-(azepan-1-ium-1-yl)ethylamino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[2-(1-azepan-1-iumyl)ethylamino]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[2-(azepan-1-ium-1-yl)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[2-(azepan-1-ium-1-yl)ethylamino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C21H26N5+ MolecularWeight: 348.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC[NH+]4CCCCCC4)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC[NH+]4CCCCCC4)C#N

InChI

InChI=1S/C21H25N5/c1-16-14-20(23-10-13-25-11-6-2-3-7-12-25)26-19-9-5-4-8-18(19)24-21(26)17(16)15-22/h4-5,8-9,14,23H,2-3,6-7,10-13H2,1H3/p+1