4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide

Systemtic Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Openeye Name: 4-(3,4-dimethoxyphenyl)-N-(1-isopropylpiperidin-1-ium-4-yl)-1-phenyl-pyrazole-3-carboxamide CAS Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)-3-pyrazolecarboxamide IUPAC Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Traditional Name: 4-(3,4-dimethoxyphenyl)-N-(1-isopropylpiperidin-1-ium-4-yl)-1-phenyl-pyrazole-3-carboxamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2=NN(C=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2=NN(C=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3/c1-18(2)29-14-12-20(13-15-29)27-26(31)25-22(17-30(28-25)21-8-6-5-7-9-21)19-10-11-23(32-3)24(16-19)33-4/h5-11,16-18,20H,12-15H2,1-4H3,(H,27,31)/p+1