2-(2,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide

Systemtic Name: 2-(2,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide CAS Name: 2-(2,5-dimethylphenyl)-5-(1-methyl-2-pyrrolyl)-N-[3-(4-morpholin-4-iumyl)propyl]-3-pyrazolecarboxamide IUPAC Name: 2-(2,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide Traditional Name: 2-(2,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide Formula: C24H32N5O2+ MolecularWeight: 422.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CN3C)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CN3C)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C24H31N5O2/c1-18-7-8-19(2)22(16-18)29-23(17-20(26-29)21-6-4-10-27(21)3)24(30)25-9-5-11-28-12-14-31-15-13-28/h4,6-8,10,16-17H,5,9,11-15H2,1-3H3,(H,25,30)/p+1