tert-butyl 2-[[4,4-bis(4-fluorophenyl)-2-methyl-piperazin-4-ium-1-yl]-butyl-carbamoyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl 2-[[4,4-bis(4-fluorophenyl)-2-methyl-piperazin-4-ium-1-yl]-butyl-carbamoyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl 2-[[4,4-bis(4-fluorophenyl)-2-methyl-piperazin-4-ium-1-yl]-butyl-carbamoyl]-2-(3-pyridyl)thiazolidine-3-carboxylate CAS Name: 2-[[[4,4-bis(4-fluorophenyl)-2-methyl-1-piperazin-4-iumyl]-butylamino]-oxomethyl]-2-(3-pyridinyl)-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4,4-bis(4-fluorophenyl)-2-methylpiperazin-4-ium-1-yl]-butylcarbamoyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Traditional Name: 2-[[4,4-bis(4-fluorophenyl)-2-methyl-piperazin-4-ium-1-yl]-butyl-carbamoyl]-2-(3-pyridyl)thiazolidine-3-carboxylic acid tert-butyl ester Formula: C35H44F2N5O3S+ MolecularWeight: 652.817366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C1(N(CCS1)C(=O)OC(C)(C)C)C2=CN=CC=C2)N3CC[N+](CC3C)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CCCCN(C(=O)C1(N(CCS1)C(=O)OC(C)(C)C)C2=CN=CC=C2)N3CC[N+](CC3C)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C35H44F2N5O3S/c1-6-7-19-41(32(43)35(27-9-8-18-38-24-27)39(21-23-46-35)33(44)45-34(3,4)5)40-20-22-42(25-26(40)2,30-14-10-28(36)11-15-30)31-16-12-29(37)13-17-31/h8-18,24,26H,6-7,19-23,25H2,1-5H3/q+1