2-[4-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-[[(4-chlorophenyl)thio]methyl]benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C24H29ClN3O2S+ MolecularWeight: 459.02396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H28ClN3O2S/c25-21-7-9-22(10-8-21)31-18-19-3-5-20(6-4-19)24(30)28-15-13-26(14-16-28)17-23(29)27-11-1-2-12-27/h3-10H,1-2,11-18H2/p+1