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

Systemtic Name: 5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-pyrazole-3-carboxamide Openeye Name: 5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-pyrazole-3-carboxamide CAS Name: 5-(1-methyl-2-pyrrolyl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-phenyl-3-pyrazolecarboxamide IUPAC Name: 5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenylpyrazole-3-carboxamide Traditional Name: 5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-pyrazole-3-carboxamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2/c1-25-11-5-9-20(25)19-17-21(27(24-19)18-7-3-2-4-8-18)22(28)23-10-6-12-26-13-15-29-16-14-26/h2-5,7-9,11,17H,6,10,12-16H2,1H3,(H,23,28)/p+1