methyl 1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-2-hydroxy-3-veratryloxy-propyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H30NO6+ MolecularWeight: 368.4446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COCC(C[NH+]2CCC(CC2)C(=O)OC)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC[C@H](C[NH+]2CCC(CC2)C(=O)OC)O)OC

InChI

InChI=1S/C19H29NO6/c1-23-17-5-4-14(10-18(17)24-2)12-26-13-16(21)11-20-8-6-15(7-9-20)19(22)25-3/h4-5,10,15-16,21H,6-9,11-13H2,1-3H3/p+1/t16-/m0/s1