2-(2,4-dimethylphenyl)-5-(furan-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide

Systemtic Name: 2-(2,4-dimethylphenyl)-5-(furan-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-5-(2-furyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-5-(2-furanyl)-N-[3-(4-morpholin-4-iumyl)propyl]-3-pyrazolecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-5-(furan-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-5-(2-furyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CO3)C(=O)NCCC[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CO3)C(=O)NCCC[NH+]4CCOCC4)C

InChI

InChI=1S/C23H28N4O3/c1-17-6-7-20(18(2)15-17)27-21(16-19(25-27)22-5-3-12-30-22)23(28)24-8-4-9-26-10-13-29-14-11-26/h3,5-7,12,15-16H,4,8-11,13-14H2,1-2H3,(H,24,28)/p+1