ethyl (3S)-1-[3-oxidanylidene-3-[[2-(phenylcarbonyl)phenyl]amino]propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-oxidanylidene-3-[[2-(phenylcarbonyl)phenyl]amino]propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(2-benzoylanilino)-3-oxo-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[3-(2-benzoylanilino)-3-oxopropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(2-benzoylanilino)-3-oxopropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[3-(2-benzoylanilino)-3-keto-propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O4/c1-2-30-24(29)19-11-8-15-26(17-19)16-14-22(27)25-21-13-7-6-12-20(21)23(28)18-9-4-3-5-10-18/h3-7,9-10,12-13,19H,2,8,11,14-17H2,1H3,(H,25,27)/p+1/t19-/m0/s1