ethyl 4-[(3S)-1-(2-oxidanylidene-2-phenyl-ethanoyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(2-oxidanylidene-2-phenyl-ethanoyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(2-oxo-2-phenyl-acetyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-(1,2-dioxo-2-phenylethyl)-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(2-oxo-2-phenylacetyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(2-keto-2-phenyl-acetyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H27N3O4/c1-2-27-20(26)22-13-11-21(12-14-22)17-9-6-10-23(15-17)19(25)18(24)16-7-4-3-5-8-16/h3-5,7-8,17H,2,6,9-15H2,1H3/p+1/t17-/m0/s1