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

Systemtic Name: 2-(4-methylphenyl)-5-(1-methylpyrrol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide Openeye Name: 5-(1-methylpyrrol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-(p-tolyl)pyrazole-3-carboxamide CAS Name: 2-(4-methylphenyl)-5-(1-methyl-2-pyrrolyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(4-methylphenyl)-5-(1-methylpyrrol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide Traditional Name: 5-(1-methylpyrrol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-(p-tolyl)pyrazole-3-carboxamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2/c1-17-5-7-18(8-6-17)27-21(16-19(24-27)20-4-3-10-25(20)2)22(28)23-9-11-26-12-14-29-15-13-26/h3-8,10,16H,9,11-15H2,1-2H3,(H,23,28)/p+1