(S)-(4-ethoxyphenyl)-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]methanol

Systemtic Name: (S)-(4-ethoxyphenyl)-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]methanol Openeye Name: (S)-(4-ethoxyphenyl)-[1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]methanol CAS Name: (S)-(4-ethoxyphenyl)-[1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinyl]methanol IUPAC Name: (S)-(4-ethoxyphenyl)-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]methanol Traditional Name: (S)-[1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]-p-phenetyl-methanol Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](C2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H23N3O4/c1-2-26-17-6-3-14(4-7-17)19(23)15-9-11-21(12-10-15)18-8-5-16(13-20-18)22(24)25/h3-8,13,15,19,23H,2,9-12H2,1H3/p+1/t19-/m1/s1