ethyl (3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-benzyl-1-[(2-morpholinothiazol-5-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[[2-(4-morpholinyl)-5-thiazolyl]methyl]-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-benzyl-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-benzyl-1-[(2-morpholinothiazol-5-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CN=C(S2)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@]1(CCC[NH+](C1)CC2=CN=C(S2)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O3S/c1-2-29-21(27)23(15-19-7-4-3-5-8-19)9-6-10-25(18-23)17-20-16-24-22(30-20)26-11-13-28-14-12-26/h3-5,7-8,16H,2,6,9-15,17-18H2,1H3/p+1/t23-/m1/s1