2-[(2,6-dimethylpyridin-4-yl)methoxy]-5-methyl-4-(oxidanylamino)-6-oxidanylidene-5-(4-oxidanylidenebutyl)-3-phenyl-3-pyrrolidin-1-yl-morpholin-4-ium-4-carboxamide

Systemtic Name: 2-[(2,6-dimethylpyridin-4-yl)methoxy]-5-methyl-4-(oxidanylamino)-6-oxidanylidene-5-(4-oxidanylidenebutyl)-3-phenyl-3-pyrrolidin-1-yl-morpholin-4-ium-4-carboxamide Openeye Name: 2-[(2,6-dimethyl-4-pyridyl)methoxy]-4-(hydroxyamino)-5-methyl-6-oxo-5-(4-oxobutyl)-3-phenyl-3-pyrrolidin-1-yl-morpholin-4-ium-4-carboxamide CAS Name: 2-[(2,6-dimethyl-4-pyridinyl)methoxy]-4-(hydroxyamino)-5-methyl-6-oxo-5-(4-oxobutyl)-3-phenyl-3-(1-pyrrolidinyl)-4-morpholin-4-iumcarboxamide IUPAC Name: 2-[(2,6-dimethylpyridin-4-yl)methoxy]-4-(hydroxyamino)-5-methyl-6-oxo-5-(4-oxobutyl)-3-phenyl-3-pyrrolidin-1-ylmorpholin-4-ium-4-carboxamide Traditional Name: 2-[(2,6-dimethyl-4-pyridyl)methoxy]-4-(hydroxyamino)-6-keto-5-(4-ketobutyl)-5-methyl-3-phenyl-3-pyrrolidino-morpholin-4-ium-4-carboxamide Formula: C28H38N5O6+ MolecularWeight: 540.63122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)COC2C([N+](C(C(=O)O2)(C)CCCC=O)(C(=O)N)NO)(C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC1=CC(=CC(=N1)C)COC2C([N+](C(C(=O)O2)(C)CCCC=O)(C(=O)N)NO)(C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C28H37N5O6/c1-20-17-22(18-21(2)30-20)19-38-25-28(32-14-8-9-15-32,23-11-5-4-6-12-23)33(31-37,26(29)36)27(3,24(35)39-25)13-7-10-16-34/h4-6,11-12,16-18,25,31,37H,7-10,13-15,19H2,1-3H3,(H-,29,36)/p+1