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

Systemtic Name: 2-(4-methoxyphenyl)-5-(1-methylpyrrol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(4-methoxyphenyl)-5-(1-methylpyrrol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(4-methoxyphenyl)-5-(1-methyl-2-pyrrolyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(4-methoxyphenyl)-5-(1-methylpyrrol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(4-methoxyphenyl)-5-(1-methylpyrrol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NN(C(=C2)C(=O)NCC[NH+]3CCOCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C=CC=C1C2=NN(C(=C2)C(=O)NCC[NH+]3CCOCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H27N5O3/c1-25-10-3-4-20(25)19-16-21(22(28)23-9-11-26-12-14-30-15-13-26)27(24-19)17-5-7-18(29-2)8-6-17/h3-8,10,16H,9,11-15H2,1-2H3,(H,23,28)/p+1