N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-chromene-3-carboxamide CAS Name: N-[(2,5-dimethyl-3-pyrazolyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-2-oxochromene-3-carboxamide Traditional Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-keto-N-(2-morpholin-4-ium-4-ylethyl)chromene-3-carboxamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CN(CC[NH+]2CCOCC2)C(=O)C3=CC4=CC=CC=C4OC3=O)C

Isomeric SMILES

CC1=NN(C(=C1)CN(CC[NH+]2CCOCC2)C(=O)C3=CC4=CC=CC=C4OC3=O)C

InChI

InChI=1S/C22H26N4O4/c1-16-13-18(24(2)23-16)15-26(8-7-25-9-11-29-12-10-25)21(27)19-14-17-5-3-4-6-20(17)30-22(19)28/h3-6,13-14H,7-12,15H2,1-2H3/p+1