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

Systemtic Name: 4-[3-[methyl-(1-oxidanidylpyridin-1-ium-2-yl)amino]propyl]-7-methylsulfanyl-1,4-benzoxazin-3-one Openeye Name: 4-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propyl]-7-methylsulfanyl-1,4-benzoxazin-3-one CAS Name: 4-[3-[methyl-(1-oxido-2-pyridin-1-iumyl)amino]propyl]-7-(methylthio)-1,4-benzoxazin-3-one IUPAC Name: 4-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propyl]-7-methylsulfanyl-1,4-benzoxazin-3-one Traditional Name: 4-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propyl]-7-(methylthio)-1,4-benzoxazin-3-one Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-19(17-6-3-4-11-21(17)23)9-5-10-20-15-8-7-14(25-2)12-16(15)24-13-18(20)22/h3-4,6-8,11-12H,5,9-10,13H2,1-2H3