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

Systemtic Name: 1-(azepan-1-yl)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(azepan-1-yl)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(1-azepanyl)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(azepan-1-yl)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(azepan-1-yl)-3-propyl-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:

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CCCCCC4

Isomeric SMILES

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CCCCCC4

InChI

InChI=1S/C21H24N4/c1-2-9-16-14-20(24-12-7-3-4-8-13-24)25-19-11-6-5-10-18(19)23-21(25)17(16)15-22/h5-6,10-11,14H,2-4,7-9,12-13H2,1H3/p+1