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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=CC=C(C=C2)O)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=CC=C(C=C2)O)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4/c24-17-4-1-14(2-5-17)7-10-20-19(25)15-8-11-22(12-9-15)18-6-3-16(13-21-18)23(26)27/h1-6,13,15,24H,7-12H2,(H,20,25)/p+1