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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C30H34N5O2+ MolecularWeight: 496.62326

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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)CC4=CC=CC=C4)[NH+]5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)[NH+]5CCCCC5

InChI

InChI=1S/C30H33N5O2/c1-37-26-14-12-24(13-15-26)28(34-17-6-3-7-18-34)20-32-30(36)27-22-35(21-23-9-4-2-5-10-23)33-29(27)25-11-8-16-31-19-25/h2,4-5,8-16,19,22,28H,3,6-7,17-18,20-21H2,1H3,(H,32,36)/p+1/t28-/m0/s1