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

Systemtic Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-ium-1-yl]butanenitrile Openeye Name: (2E)-4-(4-benzylpiperidin-1-ium-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[4-(phenylmethyl)-1-piperidin-1-iumyl]butanenitrile IUPAC Name: (2E)-4-(4-benzylpiperidin-1-ium-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2E)-4-(4-benzylpiperidin-1-ium-1-yl)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)butyronitrile Formula: C24H27N4O+ MolecularWeight: 387.49738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O/c1-27-22-10-6-5-9-21(22)26-24(27)20(16-25)23(29)17-28-13-11-19(12-14-28)15-18-7-3-2-4-8-18/h2-10,19,26H,11-15,17H2,1H3/p+1/b24-20+