N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)-6-(1H-pyrazol-2-ium-2-yl)pyridine-3-carboxamide

Systemtic Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)-6-(1H-pyrazol-2-ium-2-yl)pyridine-3-carboxamide Openeye Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholinoethyl)-6-(1H-pyrazol-2-ium-2-yl)pyridine-3-carboxamide CAS Name: N-[(2,5-dimethyl-3-pyrazolyl)methyl]-N-[2-(4-morpholinyl)ethyl]-6-(1H-pyrazol-2-ium-2-yl)-3-pyridinecarboxamide IUPAC Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)-6-(1H-pyrazol-2-ium-2-yl)pyridine-3-carboxamide Traditional Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholinoethyl)-6-(1H-pyrazol-2-ium-2-yl)nicotinamide Formula: C21H28N7O2+ MolecularWeight: 410.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CN(CCN2CCOCC2)C(=O)C3=CN=C(C=C3)[N+]4=CC=CN4)C

Isomeric SMILES

CC1=NN(C(=C1)CN(CCN2CCOCC2)C(=O)C3=CN=C(C=C3)[N+]4=CC=CN4)C

InChI

InChI=1S/C21H27N7O2/c1-17-14-19(25(2)24-17)16-27(9-8-26-10-12-30-13-11-26)21(29)18-4-5-20(22-15-18)28-7-3-6-23-28/h3-7,14-15H,8-13,16H2,1-2H3/p+1