4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: 4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-pyrazole-3-carboxamide Openeye Name: 4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-pyrazole-3-carboxamide CAS Name: 4-(3,4-dimethoxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-phenyl-3-pyrazolecarboxamide IUPAC Name: 4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylpyrazole-3-carboxamide Traditional Name: 4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-pyrazole-3-carboxamide Formula: C24H29N4O4+ MolecularWeight: 437.51146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4/c1-30-21-9-8-18(16-22(21)31-2)20-17-28(19-6-4-3-5-7-19)26-23(20)24(29)25-10-11-27-12-14-32-15-13-27/h3-9,16-17H,10-15H2,1-2H3,(H,25,29)/p+1