4-[3-[methyl-(1-oxidanidylpyridin-1-ium-2-yl)amino]propyl]-7-sulfanyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[3-[methyl-(1-oxidanidylpyridin-1-ium-2-yl)amino]propyl]-7-sulfanyl-1,4-benzoxazin-3-one Openeye Name: 4-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propyl]-7-sulfanyl-1,4-benzoxazin-3-one CAS Name: 7-mercapto-4-[3-[methyl-(1-oxido-2-pyridin-1-iumyl)amino]propyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propyl]-7-sulfanyl-1,4-benzoxazin-3-one Traditional Name: 7-mercapto-4-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propyl]-1,4-benzoxazin-3-one Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1C(=O)COC2=C1C=CC(=C2)S)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CN(CCCN1C(=O)COC2=C1C=CC(=C2)S)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H19N3O3S/c1-18(16-5-2-3-10-20(16)22)8-4-9-19-14-7-6-13(24)11-15(14)23-12-17(19)21/h2-3,5-7,10-11,24H,4,8-9,12H2,1H3