3-[4-[1-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-ium-1-yl]but-2-ynyl]-1,3-thiazolidin-4-one

Systemtic Name: 3-[4-[1-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-ium-1-yl]but-2-ynyl]-1,3-thiazolidin-4-one Openeye Name: 3-[4-[1-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-ium-1-yl]but-2-ynyl]thiazolidin-4-one CAS Name: 3-[4-[1-[(4-chlorophenyl)-phenylmethyl]-1-piperazin-1-iumyl]but-2-ynyl]-4-thiazolidinone IUPAC Name: 3-[4-[1-[(4-chlorophenyl)-phenylmethyl]piperazin-1-ium-1-yl]but-2-ynyl]-1,3-thiazolidin-4-one Traditional Name: 3-[4-[1-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-ium-1-yl]but-2-ynyl]thiazolidin-4-one Formula: C24H27ClN3OS+ MolecularWeight: 441.00868

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC#CCN2CSCC2=O)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[N+](CCN1)(CC#CCN2CSCC2=O)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN3OS/c25-22-10-8-21(9-11-22)24(20-6-2-1-3-7-20)28(16-12-26-13-17-28)15-5-4-14-27-19-30-18-23(27)29/h1-3,6-11,24,26H,12-19H2/q+1