(3R)-1-[(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-16-9-7-10-17(2)21(16)25-22(27)18(3)26-14-8-11-19(15-26)23(28)24-20-12-5-4-6-13-20/h4-7,9-10,12-13,18-19H,8,11,14-15H2,1-3H3,(H,24,28)(H,25,27)/p+1/t18-,19+/m0/s1