2-[(3R,4S)-1-(4-methoxyphenyl)carbonyl-3-(2-morpholin-4-ium-4-ylethyl)piperidin-4-yl]ethanoate

Systemtic Name: 2-[(3R,4S)-1-(4-methoxyphenyl)carbonyl-3-(2-morpholin-4-ium-4-ylethyl)piperidin-4-yl]ethanoate Openeye Name: 2-[(3R,4S)-1-(4-methoxybenzoyl)-3-(2-morpholin-4-ium-4-ylethyl)-4-piperidyl]acetate CAS Name: 2-[(3R,4S)-1-[(4-methoxyphenyl)-oxomethyl]-3-[2-(4-morpholin-4-iumyl)ethyl]-4-piperidinyl]acetate IUPAC Name: 2-[(3R,4S)-1-(4-methoxybenzoyl)-3-(2-morpholin-4-ium-4-ylethyl)piperidin-4-yl]acetate Traditional Name: 2-[(3R,4S)-3-(2-morpholin-4-ium-4-ylethyl)-1-p-anisoyl-4-piperidyl]acetate Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCC(C(C2)CC[NH+]3CCOCC3)CC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CC[C@H]([C@H](C2)CC[NH+]3CCOCC3)CC(=O)[O-]

InChI

InChI=1S/C21H30N2O5/c1-27-19-4-2-16(3-5-19)21(26)23-9-7-17(14-20(24)25)18(15-23)6-8-22-10-12-28-13-11-22/h2-5,17-18H,6-15H2,1H3,(H,24,25)/t17-,18-/m0/s1