2-[(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-oxazole-4-carboxamide

Systemtic Name: 2-[(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-oxazole-4-carboxamide Openeye Name: 2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)oxazole-4-carboxamide CAS Name: 2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-oxazolecarboxamide IUPAC Name: 2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[(3-keto-6-methyl-1,4-benzoxazin-4-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)oxazole-4-carboxamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CO3)C(=O)NCC[NH+]4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CO3)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C20H24N4O4/c1-14-4-5-17-16(10-14)24(19(25)13-27-17)11-18-22-15(12-28-18)20(26)21-6-9-23-7-2-3-8-23/h4-5,10,12H,2-3,6-9,11,13H2,1H3,(H,21,26)/p+1