5-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: 5-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-pyrazole-3-carboxamide Openeye Name: 5-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-pyrazole-3-carboxamide CAS Name: 5-(4-methoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-phenyl-3-pyrazolecarboxamide IUPAC Name: 5-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenylpyrazole-3-carboxamide Traditional Name: 5-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-pyrazole-3-carboxamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)NCCC[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)NCCC[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3/c1-30-21-10-8-19(9-11-21)22-18-23(28(26-22)20-6-3-2-4-7-20)24(29)25-12-5-13-27-14-16-31-17-15-27/h2-4,6-11,18H,5,12-17H2,1H3,(H,25,29)/p+1