(2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-oxo-butanenitrile CAS Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(3S)-3-methyl-1-piperidin-1-iumyl]-3-oxobutanenitrile IUPAC Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-oxobutanenitrile Traditional Name: (2E)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyronitrile Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)C(=C2NC3=CC=CC=C3N2C)C#N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N

InChI

InChI=1S/C18H22N4O/c1-13-6-5-9-22(11-13)12-17(23)14(10-19)18-20-15-7-3-4-8-16(15)21(18)2/h3-4,7-8,13,20H,5-6,9,11-12H2,1-2H3/p+1/b18-14+/t13-/m0/s1