2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-oxidanylidene-butanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C17H20N4O/c1-12-5-4-8-21(10-12)11-16(22)13(9-18)17-19-14-6-2-3-7-15(14)20-17/h2-3,6-7,12,19-20H,4-5,8,10-11H2,1H3/p+1/t12-/m0/s1