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

Systemtic Name: 3-(4-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(4-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-bromophenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(4-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1-phenyl-pyrazole-4-carboxamide Formula: C23H26BrN4O2+ MolecularWeight: 470.38214

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H25BrN4O2/c24-19-9-7-18(8-10-19)22-21(17-28(26-22)20-5-2-1-3-6-20)23(29)25-11-4-12-27-13-15-30-16-14-27/h1-3,5-10,17H,4,11-16H2,(H,25,29)/p+1