[1-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]azanium

Systemtic Name: [1-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]azanium Openeye Name: [1-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]-4-piperidin-1-iumyl]ammonium IUPAC Name: [1-[(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]piperidin-1-ium-4-yl]azanium Traditional Name: [1-(4-hydroxy-3-methoxy-5-nitro-benzyl)piperidin-1-ium-4-yl]ammonium Formula: C13H21N3O4+2 MolecularWeight: 283.32354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C[NH+]2CCC(CC2)[NH3+]

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C[NH+]2CCC(CC2)[NH3+]

InChI

InChI=1S/C13H19N3O4/c1-20-12-7-9(6-11(13(12)17)16(18)19)8-15-4-2-10(14)3-5-15/h6-7,10,17H,2-5,8,14H2,1H3/p+2