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

Systemtic Name: 1-(azepan-1-yl)-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(azepan-1-yl)-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(1-azepanyl)-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(azepan-1-yl)-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(azepan-1-yl)-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C21H25N4+ MolecularWeight: 333.45

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CCCCCC4

Isomeric SMILES

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CCCCCC4

InChI

InChI=1S/C21H24N4/c1-3-16-15(2)17(14-22)20-23-18-10-6-7-11-19(18)25(20)21(16)24-12-8-4-5-9-13-24/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3/p+1