3-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-(4-nitrobenzyl)pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=[N+](C=C2)CCCS(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=[N+](C=C2)CCCS(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O5S/c18-17(19)15-4-2-13(3-5-15)12-14-6-9-16(10-7-14)8-1-11-23(20,21)22/h2-7,9-10H,1,8,11-12H2