methyl 1-[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)[C@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C18H24N2O3/c1-23-18(22)14-9-11-20(12-10-14)16(13-5-3-2-4-6-13)17(21)19-15-7-8-15/h2-6,14-16H,7-12H2,1H3,(H,19,21)/p+1/t16-/m1/s1