3-(2,5-dimethoxyphenyl)-1-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide

Systemtic Name: 3-(2,5-dimethoxyphenyl)-1-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(2,5-dimethoxyphenyl)-1-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C30H33N4O3+ MolecularWeight: 497.60802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NN(C=C2C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NN(C=C2C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H32N4O3/c1-36-25-13-14-28(37-2)26(19-25)29-27(21-34(32-29)24-11-7-4-8-12-24)30(35)31-23-15-17-33(18-16-23)20-22-9-5-3-6-10-22/h3-14,19,21,23H,15-18,20H2,1-2H3,(H,31,35)/p+1