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

Systemtic Name: 4-(azocan-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-(azocan-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-(1-azocan-1-iumyl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-(azocan-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-(azocan-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C18H22N4O/c19-12-14(18-20-15-8-4-5-9-16(15)21-18)17(23)13-22-10-6-2-1-3-7-11-22/h4-5,8-9,20-21H,1-3,6-7,10-11,13H2/p+1