2-methoxy-4-[[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]methyl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[[methyl-(1-methylpiperidin-1-ium-4-yl)ammonio]methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[[methyl-(1-methyl-4-piperidin-1-iumyl)ammonio]methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]methyl]-6-nitrophenolate Traditional Name: 2-methoxy-4-[[methyl-(1-methylpiperidin-1-ium-4-yl)ammonio]methyl]-6-nitro-phenolate Formula: C15H24N3O4+ MolecularWeight: 310.36876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O4/c1-16-6-4-12(5-7-16)17(2)10-11-8-13(18(20)21)15(19)14(9-11)22-3/h8-9,12,19H,4-7,10H2,1-3H3/p+1