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

Systemtic Name: 2-[4-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[4-[[(4-chlorophenyl)thio]methyl]benzoyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C24H29ClN3O3S+ MolecularWeight: 475.02336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H28ClN3O3S/c25-21-5-7-22(8-6-21)32-18-19-1-3-20(4-2-19)24(30)28-11-9-26(10-12-28)17-23(29)27-13-15-31-16-14-27/h1-8H,9-18H2/p+1