2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propan-1-one CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propan-1-one Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H23N3O2S/c1-16(25-18-9-5-6-10-22(18)24)19(23)21-13-11-20(12-14-21)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3