2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[(4-isopropylphenyl)methyl]piperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-(4-isopropylbenzyl)piperazino]-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H27N3O2S/c1-17(2)19-8-6-18(7-9-19)15-22-11-13-23(14-12-22)20(25)16-27-21-5-3-4-10-24(21)26/h3-10,17H,11-16H2,1-2H3