1-[2-(azepan-1-ium-1-yl)ethylamino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-[2-(azepan-1-ium-1-yl)ethylamino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-[2-(azepan-1-ium-1-yl)ethylamino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[2-(1-azepan-1-iumyl)ethylamino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-[2-(azepan-1-ium-1-yl)ethylamino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-[2-(azepan-1-ium-1-yl)ethylamino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C21H27N5+2 MolecularWeight: 349.47258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCC[NH+]4CCCCCC4

Isomeric SMILES

CC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCC[NH+]4CCCCCC4

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/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,23,24)/p+2