2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-1-(4-phenylpiperazino)propan-1-one Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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