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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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