[1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-yl]methanol

Systemtic Name: [1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-yl]methanol Openeye Name: [1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-yl]methanol CAS Name: [1-[(4-nitrophenyl)methyl]-2-pyridin-1-iumyl]methanol IUPAC Name: [1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-yl]methanol Traditional Name: [1-(4-nitrobenzyl)pyridin-1-ium-2-yl]methanol Formula: C13H13N2O3+ MolecularWeight: 245.25392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)CO)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)CO)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N2O3/c16-10-13-3-1-2-8-14(13)9-11-4-6-12(7-5-11)15(17)18/h1-8,16H,9-10H2/q+1