2-(4-chlorophenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)sulfanyl-ethanone CAS Name: 2-[(4-chlorophenyl)thio]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)sulfanylethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-chlorophenyl)thio]ethanone Formula: C19H22ClN2OS+ MolecularWeight: 361.90878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2OS/c20-17-6-8-18(9-7-17)24-15-19(23)22-12-10-21(11-13-22)14-16-4-2-1-3-5-16/h1-9H,10-15H2/p+1