1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-pyridylthio)ethanone Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C18H21N3OS/c22-18(15-23-17-8-4-5-9-19-17)21-12-10-20(11-13-21)14-16-6-2-1-3-7-16/h1-9H,10-15H2/p+1