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

Systemtic Name: 2-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide Openeye Name: 5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-(m-tolyl)pyrazole-3-carboxamide CAS Name: 2-(3-methylphenyl)-5-(1-methyl-2-pyrrolyl)-N-[3-(4-morpholin-4-iumyl)propyl]-3-pyrazolecarboxamide IUPAC Name: 2-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide Traditional Name: 5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-(m-tolyl)pyrazole-3-carboxamide Formula: C23H30N5O2+ MolecularWeight: 408.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O2/c1-18-6-3-7-19(16-18)28-22(17-20(25-28)21-8-4-10-26(21)2)23(29)24-9-5-11-27-12-14-30-15-13-27/h3-4,6-8,10,16-17H,5,9,11-15H2,1-2H3,(H,24,29)/p+1