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

Systemtic Name: ethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[2-(dimethylamino)thiazol-5-yl]methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(dimethylamino)-5-thiazolyl]methyl]-4-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-4-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(dimethylamino)thiazol-5-yl]methyl]-4-phenethyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H32N3O2S+ MolecularWeight: 402.57338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=C(S2)N(C)C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=C(S2)N(C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O2S/c1-4-27-20(26)22(11-10-18-8-6-5-7-9-18)12-14-25(15-13-22)17-19-16-23-21(28-19)24(2)3/h5-9,16H,4,10-15,17H2,1-3H3/p+1