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

Systemtic Name: N-[2-[1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide Openeye Name: N-[2-[1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-[1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propionamide Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4/c1-32-22-9-5-6-19(25(22)31)18-28-15-11-20(12-16-28)29-23(10-14-26-29)27-24(30)13-17-33-21-7-3-2-4-8-21/h2-10,14,20,31H,11-13,15-18H2,1H3,(H,27,30)/p+1