N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]pyrazole-4-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]pyrazole-4-carboxamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C25H30N4O2/c1-31-23-12-10-21(11-13-23)24(28-14-6-3-7-15-28)17-26-25(30)22-16-27-29(19-22)18-20-8-4-2-5-9-20/h2,4-5,8-13,16,19,24H,3,6-7,14-15,17-18H2,1H3,(H,26,30)/p+1/t24-/m0/s1