(2S)-N-(2-ethoxyphenyl)-2-(4-oxidanylidenepiperidin-1-ium-1-yl)-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(2-ethoxyphenyl)-2-(4-oxidanylidenepiperidin-1-ium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-N-(2-ethoxyphenyl)-2-(4-oxopiperidin-1-ium-1-yl)-2-phenyl-acetamide CAS Name: (2S)-N-(2-ethoxyphenyl)-2-(4-oxo-1-piperidin-1-iumyl)-2-phenylacetamide IUPAC Name: (2S)-N-(2-ethoxyphenyl)-2-(4-oxopiperidin-1-ium-1-yl)-2-phenylacetamide Traditional Name: (2S)-2-(4-ketopiperidin-1-ium-1-yl)-N-o-phenetyl-2-phenyl-acetamide Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH+]3CCC(=O)CC3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCC(=O)CC3

InChI

InChI=1S/C21H24N2O3/c1-2-26-19-11-7-6-10-18(19)22-21(25)20(16-8-4-3-5-9-16)23-14-12-17(24)13-15-23/h3-11,20H,2,12-15H2,1H3,(H,22,25)/p+1/t20-/m0/s1