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

Systemtic Name: 1-[2-(azepan-1-ium-1-yl)ethylamino]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[2-(azepan-1-ium-1-yl)ethylamino]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[2-(1-azepan-1-iumyl)ethylamino]-3-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[2-(azepan-1-ium-1-yl)ethylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[2-(azepan-1-ium-1-yl)ethylamino]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H30N5+ MolecularWeight: 376.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC[NH+]4CCCCCC4)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC[NH+]4CCCCCC4)C#N

InChI

InChI=1S/C23H29N5/c1-2-9-18-16-22(25-12-15-27-13-7-3-4-8-14-27)28-21-11-6-5-10-20(21)26-23(28)19(18)17-24/h5-6,10-11,16,25H,2-4,7-9,12-15H2,1H3/p+1