4-(azepan-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(azepan-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-(azepan-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-(1-azepan-1-iumyl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-(azepan-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-(azepan-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C17H21N4O+ MolecularWeight: 297.37484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C17H20N4O/c18-11-13(16(22)12-21-9-5-1-2-6-10-21)17-19-14-7-3-4-8-15(14)20-17/h3-4,7-8,19-20H,1-2,5-6,9-10,12H2/p+1