1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H21N3O3S/c1-24-16-7-5-15(6-8-16)19-10-12-20(13-11-19)17(22)14-25-18-4-2-3-9-21(18)23/h2-9H,10-14H2,1H3