ethyl (3S)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(o-anisylamino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NCC2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NCC2=CC=CC=C2OC

InChI

InChI=1S/C18H26N2O4/c1-3-24-18(22)15-8-6-10-20(12-15)13-17(21)19-11-14-7-4-5-9-16(14)23-2/h4-5,7,9,15H,3,6,8,10-13H2,1-2H3,(H,19,21)/p+1/t15-/m0/s1