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

Systemtic Name: 3-(2-methoxyphenyl)-1-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(2-methoxyphenyl)-1-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C29H31N4O2+ MolecularWeight: 467.58204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2/c1-35-27-15-9-8-14-25(27)28-26(21-33(31-28)24-12-6-3-7-13-24)29(34)30-23-16-18-32(19-17-23)20-22-10-4-2-5-11-22/h2-15,21,23H,16-20H2,1H3,(H,30,34)/p+1