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

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-nitrophenyl)thio]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-nitrophenyl)sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-nitrophenyl)thio]-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C17H19N4O3S+ MolecularWeight: 359.42276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3S/c22-17(13-25-16-3-1-15(2-4-16)21(23)24)20-11-9-19(10-12-20)14-5-7-18-8-6-14/h1-8H,9-13H2/p+1