4-(3,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-3-carboxamide

Systemtic Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-3-carboxamide Openeye Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-3-carboxamide CAS Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[3-(1-piperidin-1-iumyl)propyl]-3-pyrazolecarboxamide IUPAC Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-3-carboxamide Traditional Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-3-carboxamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)NCCC[NH+]3CCCCC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)NCCC[NH+]3CCCCC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H32N4O3/c1-32-23-13-12-20(18-24(23)33-2)22-19-30(21-10-5-3-6-11-21)28-25(22)26(31)27-14-9-17-29-15-7-4-8-16-29/h3,5-6,10-13,18-19H,4,7-9,14-17H2,1-2H3,(H,27,31)/p+1