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

Systemtic Name: 2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(pyridin-1-ium-2-ylmethyl)propanamide Openeye Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-1-ium-2-ylmethyl)propanamide CAS Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-1-iumylmethyl)propanamide IUPAC Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-1-ium-2-ylmethyl)propanamide Traditional Name: 2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)-N-(pyridin-1-ium-2-ylmethyl)propionamide Formula: C17H17ClN3O3+ MolecularWeight: 346.78818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=[NH+]1)N2C(=O)COC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=[NH+]1)N2C(=O)COC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3O3/c1-11(17(23)20-9-13-4-2-3-7-19-13)21-14-8-12(18)5-6-15(14)24-10-16(21)22/h2-8,11H,9-10H2,1H3,(H,20,23)/p+1