ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-[(3-methoxyphenyl)methyl]-1-[(2-methyl-5-thiazolyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-m-anisyl-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CN=C(S2)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CN=C(S2)C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H28N2O3S/c1-4-26-20(24)21(12-17-7-5-8-18(11-17)25-3)9-6-10-23(15-21)14-19-13-22-16(2)27-19/h5,7-8,11,13H,4,6,9-10,12,14-15H2,1-3H3/p+1/t21-/m0/s1