[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-[2-(thiophen-3-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: [4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-[2-(thiophen-3-ylmethylsulfanyl)phenyl]methanone Openeye Name: [4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-[2-(3-thienylmethylsulfanyl)phenyl]methanone CAS Name: [4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-[2-(3-thiophenylmethylthio)phenyl]methanone IUPAC Name: [4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-[2-(thiophen-3-ylmethylsulfanyl)phenyl]methanone Traditional Name: [4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-[2-(3-thenylthio)phenyl]methanone Formula: C22H24N3OS2+ MolecularWeight: 410.57546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC=CC=C3SCC4=CSC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC=CC=C3SCC4=CSC=C4

InChI

InChI=1S/C22H23N3OS2/c26-22(20-3-1-2-4-21(20)28-17-19-7-14-27-16-19)25-12-10-24(11-13-25)15-18-5-8-23-9-6-18/h1-9,14,16H,10-13,15,17H2/p+1