(3S)-1-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-(2,3-dimethylanilino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O2/c1-16-8-6-12-20(17(16)2)24-21(26)15-25-13-7-9-18(14-25)22(27)23-19-10-4-3-5-11-19/h3-6,8,10-12,18H,7,9,13-15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t18-/m0/s1