4-[[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]methyl]-2-nitro-phenolate

Systemtic Name: 4-[[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]methyl]-2-nitro-phenolate Openeye Name: 4-[[methyl-(1-methylpiperidin-1-ium-4-yl)ammonio]methyl]-2-nitro-phenolate CAS Name: 4-[[methyl-(1-methyl-4-piperidin-1-iumyl)ammonio]methyl]-2-nitrophenolate IUPAC Name: 4-[[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]methyl]-2-nitrophenolate Traditional Name: 4-[[methyl-(1-methylpiperidin-1-ium-4-yl)ammonio]methyl]-2-nitro-phenolate Formula: C14H22N3O3+ MolecularWeight: 280.34278

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC(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