[1-[2-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]phenyl]piperidin-4-yl]methanol

Systemtic Name: [1-[2-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]phenyl]piperidin-4-yl]methanol Openeye Name: [1-[2-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]phenyl]-4-piperidyl]methanol CAS Name: [1-[2-[[(5-nitro-2-pyridin-1-iumyl)amino]methyl]phenyl]-4-piperidinyl]methanol IUPAC Name: [1-[2-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]phenyl]piperidin-4-yl]methanol Traditional Name: [1-[2-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]phenyl]-4-piperidyl]methanol Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)C2=CC=CC=C2CNC3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CO)C2=CC=CC=C2CNC3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3/c23-13-14-7-9-21(10-8-14)17-4-2-1-3-15(17)11-19-18-6-5-16(12-20-18)22(24)25/h1-6,12,14,23H,7-11,13H2,(H,19,20)/p+1