ethyl 4-[(3-methoxyphenyl)methyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-isopropylthiazol-2-yl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[(4-propan-2-yl-2-thiazolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-isopropylthiazol-2-yl)methyl]-4-m-anisyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H33N2O3S+ MolecularWeight: 417.58472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC(=CS2)C(C)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC(=CS2)C(C)C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H32N2O3S/c1-5-28-22(26)23(14-18-7-6-8-19(13-18)27-4)9-11-25(12-10-23)15-21-24-20(16-29-21)17(2)3/h6-8,13,16-17H,5,9-12,14-15H2,1-4H3/p+1