methyl 1-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-(3-phenylpropylamino)ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C18H26N2O3/c1-23-18(22)16-9-12-20(13-10-16)14-17(21)19-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,19,21)/p+1