(3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(5-nitro-2-pyridin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)nipecotamide Formula: C19H23N4O4+ MolecularWeight: 371.41032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CC=C(C=C3)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CC=C(C=C3)O

InChI

InChI=1S/C19H22N4O4/c24-17-6-3-14(4-7-17)9-10-20-19(25)15-2-1-11-22(13-15)18-8-5-16(12-21-18)23(26)27/h3-8,12,15,24H,1-2,9-11,13H2,(H,20,25)/p+1/t15-/m0/s1