(4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methylpiperidin-1-ium-1-yl)-3-oxidanylidene-pentanenitrile

Systemtic Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methylpiperidin-1-ium-1-yl)-3-oxidanylidene-pentanenitrile Openeye Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methylpiperidin-1-ium-1-yl)-3-oxo-pentanenitrile CAS Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methyl-1-piperidin-1-iumyl)-3-oxopentanenitrile IUPAC Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methylpiperidin-1-ium-1-yl)-3-oxopentanenitrile Traditional Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-(4-methylpiperidin-1-ium-1-yl)valeronitrile Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C)C(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C)C(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C18H22N4O/c1-12-7-9-22(10-8-12)13(2)17(23)14(11-19)18-20-15-5-3-4-6-16(15)21-18/h3-6,12-13,20-21H,7-10H2,1-2H3/p+1/t13-/m1/s1