N-[2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide

Systemtic Name: N-[2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Openeye Name: N-[2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide CAS Name: N-[2-[1-[(3,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methoxybenzamide IUPAC Name: N-[2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxybenzamide Traditional Name: N-[2-[1-(3,5-dimethoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C25H30N4O4/c1-31-20-14-18(15-21(16-20)32-2)17-28-12-9-19(10-13-28)29-24(8-11-26-29)27-25(30)22-6-4-5-7-23(22)33-3/h4-8,11,14-16,19H,9-10,12-13,17H2,1-3H3,(H,27,30)/p+1