ethyl (3R)-1-[3-oxidanylidene-3-[[(1S)-1-phenylethyl]amino]propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[3-oxidanylidene-3-[[(1S)-1-phenylethyl]amino]propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[3-keto-3-[[(1S)-1-phenylethyl]amino]propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCC(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CCC(=O)N[C@@H](C)C2=CC=CC=C2

InChI

InChI=1S/C19H28N2O3/c1-3-24-19(23)17-10-7-12-21(14-17)13-11-18(22)20-15(2)16-8-5-4-6-9-16/h4-6,8-9,15,17H,3,7,10-14H2,1-2H3,(H,20,22)/p+1/t15-,17+/m0/s1