7-nitro-4-[(4-oxidanylpiperidin-1-ium-4-yl)methyl]-1,4-benzoxazin-3-one

Systemtic Name: 7-nitro-4-[(4-oxidanylpiperidin-1-ium-4-yl)methyl]-1,4-benzoxazin-3-one Openeye Name: 4-[(4-hydroxypiperidin-1-ium-4-yl)methyl]-7-nitro-1,4-benzoxazin-3-one CAS Name: 4-[(4-hydroxy-4-piperidin-1-iumyl)methyl]-7-nitro-1,4-benzoxazin-3-one IUPAC Name: 4-[(4-hydroxypiperidin-1-ium-4-yl)methyl]-7-nitro-1,4-benzoxazin-3-one Traditional Name: 4-[(4-hydroxypiperidin-1-ium-4-yl)methyl]-7-nitro-1,4-benzoxazin-3-one Formula: C14H18N3O5+ MolecularWeight: 308.30982

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1(CN2C(=O)COC3=C2C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1C[NH2+]CCC1(CN2C(=O)COC3=C2C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C14H17N3O5/c18-13-8-22-12-7-10(17(20)21)1-2-11(12)16(13)9-14(19)3-5-15-6-4-14/h1-2,7,15,19H,3-6,8-9H2/p+1