N-[2-[1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: N-[2-[1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-(1-vanillylpiperidin-1-ium-4-yl)pyrazol-3-yl]benzamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C23H26N4O3/c1-30-21-15-17(7-8-20(21)28)16-26-13-10-19(11-14-26)27-22(9-12-24-27)25-23(29)18-5-3-2-4-6-18/h2-9,12,15,19,28H,10-11,13-14,16H2,1H3,(H,25,29)/p+1