2-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(pyridin-1-ium-3-ylmethyl)propanamide

Systemtic Name: 2-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(pyridin-1-ium-3-ylmethyl)propanamide Openeye Name: 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-1-ium-3-ylmethyl)propanamide CAS Name: 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-pyridin-1-iumylmethyl)propanamide IUPAC Name: 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-1-ium-3-ylmethyl)propanamide Traditional Name: 2-(3-keto-6-methyl-1,4-benzoxazin-4-yl)-N-(pyridin-1-ium-3-ylmethyl)propionamide Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2C(C)C(=O)NCC3=C[NH+]=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2C(C)C(=O)NCC3=C[NH+]=CC=C3

InChI

InChI=1S/C18H19N3O3/c1-12-5-6-16-15(8-12)21(17(22)11-24-16)13(2)18(23)20-10-14-4-3-7-19-9-14/h3-9,13H,10-11H2,1-2H3,(H,20,23)/p+1