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

Systemtic Name: ethyl (3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-3-phenethyl-piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(2-morpholinothiazol-5-yl)methyl]-3-phenethyl-piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[[2-(4-morpholinyl)-5-thiazolyl]methyl]-3-phenethyl-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-3-phenethylpiperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(2-morpholinothiazol-5-yl)methyl]-3-phenethyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CN=C(S2)N3CCOCC3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CN=C(S2)N3CCOCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H33N3O3S/c1-2-30-22(28)24(11-9-20-7-4-3-5-8-20)10-6-12-26(19-24)18-21-17-25-23(31-21)27-13-15-29-16-14-27/h3-5,7-8,17H,2,6,9-16,18-19H2,1H3/p+1/t24-/m0/s1