5-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-pyrazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-pyrazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-phenyl-3-pyrazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenylpyrazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-pyrazole-3-carboxamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NCC[NH+]3CCOCC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NCC[NH+]3CCOCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4O2/c1-18-8-9-20(16-19(18)2)22-17-23(28(26-22)21-6-4-3-5-7-21)24(29)25-10-11-27-12-14-30-15-13-27/h3-9,16-17H,10-15H2,1-2H3,(H,25,29)/p+1