ethyl (3S)-1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(veratrylamino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H29N2O5+ MolecularWeight: 365.44396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H28N2O5/c1-4-26-19(23)15-6-5-9-21(12-15)13-18(22)20-11-14-7-8-16(24-2)17(10-14)25-3/h7-8,10,15H,4-6,9,11-13H2,1-3H3,(H,20,22)/p+1/t15-/m0/s1