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

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(3S)-3-methyl-1-piperidin-1-iumyl]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyronitrile Formula: C19H25N4O+ MolecularWeight: 325.428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

InChI

InChI=1S/C19H24N4O/c1-14-7-6-10-23(12-14)13-18(24)15(11-20)19-21(2)16-8-4-5-9-17(16)22(19)3/h4-5,8-9,14H,6-7,10,12-13H2,1-3H3/p+1/t14-/m0/s1