2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenoxy]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenoxy]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenoxy]-1-oxido-pyridin-1-ium CAS Name: 2-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenoxy]-1-oxidopyridin-1-ium IUPAC Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenoxy]-1-oxidopyridin-1-ium Traditional Name: 2-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenoxy]-1-oxido-pyridin-1-ium Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=[N+]3[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=[N+]3[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6S/c1-13-5-4-9-18(12-13)27(24,25)14-7-8-16(15(11-14)20(22)23)26-17-6-2-3-10-19(17)21/h2-3,6-8,10-11,13H,4-5,9,12H2,1H3/t13-/m0/s1