N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C29H32N5O2+ MolecularWeight: 482.59668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)[NH+]5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)[NH+]5CCCCC5

InChI

InChI=1S/C29H31N5O2/c1-36-25-14-12-22(13-15-25)27(33-17-6-3-7-18-33)20-31-29(35)26-21-34(24-10-4-2-5-11-24)32-28(26)23-9-8-16-30-19-23/h2,4-5,8-16,19,21,27H,3,6-7,17-18,20H2,1H3,(H,31,35)/p+1/t27-/m0/s1