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

Systemtic Name: ethyl (3S)-1-[2-[[2-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[2-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3

InChI

InChI=1S/C20H27N3O4/c1-2-27-20(26)14-6-5-11-23(12-14)13-18(24)22-17-8-4-3-7-16(17)19(25)21-15-9-10-15/h3-4,7-8,14-15H,2,5-6,9-13H2,1H3,(H,21,25)(H,22,24)/p+1/t14-/m0/s1