2-(4-methoxyphenyl)sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-methoxyphenyl)sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-methoxyphenyl)sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-methoxyphenyl)thio]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methoxyphenyl)sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-methoxyphenyl)thio]-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C18H21N3O2S/c1-23-16-2-4-17(5-3-16)24-14-18(22)21-12-10-20(11-13-21)15-6-8-19-9-7-15/h2-9H,10-14H2,1H3/p+1