ethyl 1-[3-oxidanylidene-3-[[(1R)-1-phenylethyl]amino]propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-oxidanylidene-3-[[(1R)-1-phenylethyl]amino]propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-keto-3-[[(1R)-1-phenylethyl]amino]propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCC(=O)N[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C19H28N2O3/c1-3-24-19(23)17-9-12-21(13-10-17)14-11-18(22)20-15(2)16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3,(H,20,22)/p+1/t15-/m1/s1