6-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanoyl]-4H-1,4-benzoxazin-3-one chloride

Systemtic Name: 6-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanoyl]-4H-1,4-benzoxazin-3-one chloride Openeye Name: 6-[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]-4H-1,4-benzoxazin-3-one chloride CAS Name: 6-[1-oxo-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethyl]-4H-1,4-benzoxazin-3-one chloride IUPAC Name: 6-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one chloride Traditional Name: 6-[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]-4H-1,4-benzoxazin-3-one chloride Formula: C20H23ClN2O3 MolecularWeight: 374.86122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3.[Cl-]

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3.[Cl-]

InChI

InChI=1S/C20H22N2O3.ClH/c1-3-14(4-2)15-7-9-22(10-8-15)12-18(23)16-5-6-19-17(11-16)21-20(24)13-25-19;/h5-11,14H,3-4,12-13H2,1-2H3;1H