tert-butyl (2R,4S)-2-(4-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-1,3-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl (2R,4S)-2-(4-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl (2R,4S)-2-(4-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)thiazolidine-3-carboxylate CAS Name: (2R,4S)-2-(4-chlorophenyl)-4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,4S)-2-(4-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)-1,3-thiazolidine-3-carboxylate Traditional Name: (2R,4S)-2-(4-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)thiazolidine-3-carboxylic acid tert-butyl ester Formula: C20H29ClN3O3S+ MolecularWeight: 426.98056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CSC1C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H](CS[C@@H]1C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H28ClN3O3S/c1-20(2,3)27-19(26)24-16(17(25)23-11-9-22(4)10-12-23)13-28-18(24)14-5-7-15(21)8-6-14/h5-8,16,18H,9-13H2,1-4H3/p+1/t16-,18-/m1/s1