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

Systemtic Name: 2-[(3R,4S)-3-(2-morpholin-4-ium-4-ylethyl)-1-(2-thiophen-2-ylethanoyl)piperidin-4-yl]ethanoate Openeye Name: 2-[(3R,4S)-3-(2-morpholin-4-ium-4-ylethyl)-1-[2-(2-thienyl)acetyl]-4-piperidyl]acetate CAS Name: 2-[(3R,4S)-3-[2-(4-morpholin-4-iumyl)ethyl]-1-(1-oxo-2-thiophen-2-ylethyl)-4-piperidinyl]acetate IUPAC Name: 2-[(3R,4S)-3-(2-morpholin-4-ium-4-ylethyl)-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetate Traditional Name: 2-[(3R,4S)-3-(2-morpholin-4-ium-4-ylethyl)-1-[2-(2-thienyl)acetyl]-4-piperidyl]acetate Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1CC(=O)[O-])CC[NH+]2CCOCC2)C(=O)CC3=CC=CS3

Isomeric SMILES

C1CN(C[C@@H]([C@@H]1CC(=O)[O-])CC[NH+]2CCOCC2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C19H28N2O4S/c22-18(13-17-2-1-11-26-17)21-6-4-15(12-19(23)24)16(14-21)3-5-20-7-9-25-10-8-20/h1-2,11,15-16H,3-10,12-14H2,(H,23,24)/t15-,16-/m0/s1