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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1-phenyl-pyrazole-3-carboxamide Openeye Name: 4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1-phenyl-pyrazole-3-carboxamide CAS Name: 4-(3,4-dimethoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-1-phenyl-3-pyrazolecarboxamide IUPAC Name: 4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1-phenylpyrazole-3-carboxamide Traditional Name: 4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1-phenyl-pyrazole-3-carboxamide Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)NCCC[NH+]3CCOCC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)NCCC[NH+]3CCOCC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H30N4O4/c1-31-22-10-9-19(17-23(22)32-2)21-18-29(20-7-4-3-5-8-20)27-24(21)25(30)26-11-6-12-28-13-15-33-16-14-28/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,26,30)/p+1