methyl-(1-methylpiperidin-4-yl)-[(3-nitro-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: methyl-(1-methylpiperidin-4-yl)-[(3-nitro-4-oxidanyl-phenyl)methyl]azanium Openeye Name: (4-hydroxy-3-nitro-phenyl)methyl-methyl-(1-methyl-4-piperidyl)ammonium CAS Name: (4-hydroxy-3-nitrophenyl)methyl-methyl-(1-methyl-4-piperidinyl)ammonium IUPAC Name: (4-hydroxy-3-nitrophenyl)methyl-methyl-(1-methylpiperidin-4-yl)azanium Traditional Name: (4-hydroxy-3-nitro-benzyl)-methyl-(1-methyl-4-piperidyl)ammonium Formula: C14H22N3O3+ MolecularWeight: 280.34278

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+](C)CC2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)[NH+](C)CC2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O3/c1-15-7-5-12(6-8-15)16(2)10-11-3-4-14(18)13(9-11)17(19)20/h3-4,9,12,18H,5-8,10H2,1-2H3/p+1