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

Systemtic Name: N-[2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-[(3,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-(3,5-dimethoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H30N4O3/c1-31-22-14-20(15-23(17-22)32-2)18-28-12-9-21(10-13-28)29-24(8-11-26-29)27-25(30)16-19-6-4-3-5-7-19/h3-8,11,14-15,17,21H,9-10,12-13,16,18H2,1-2H3,(H,27,30)/p+1