[4-(phenylmethyl)piperazin-4-ium-1-yl]-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(2-thienylmethylsulfanyl)phenyl]methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[2-(thiophen-2-ylmethylthio)phenyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(2-thenylthio)phenyl]methanone Formula: C23H25N2OS2+ MolecularWeight: 409.5874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3SCC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3SCC4=CC=CS4

InChI

InChI=1S/C23H24N2OS2/c26-23(21-10-4-5-11-22(21)28-18-20-9-6-16-27-20)25-14-12-24(13-15-25)17-19-7-2-1-3-8-19/h1-11,16H,12-15,17-18H2/p+1