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

Systemtic Name: N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-[(4-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-(4-ethoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-2-31-23-10-8-21(9-11-23)19-28-16-13-22(14-17-28)29-24(12-15-26-29)27-25(30)18-20-6-4-3-5-7-20/h3-12,15,22H,2,13-14,16-19H2,1H3,(H,27,30)/p+1