ethyl (3S)-1-[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[2-(o-tolyl)ethylamino]ethyl]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)CC(=O)NCCC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NCCC2=CC=CC=C2C

InChI

InChI=1S/C19H28N2O3/c1-3-24-19(23)17-9-6-12-21(13-17)14-18(22)20-11-10-16-8-5-4-7-15(16)2/h4-5,7-8,17H,3,6,9-14H2,1-2H3,(H,20,22)/p+1/t17-/m0/s1