5-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-nitro-benzoate

Systemtic Name: 5-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-nitro-benzoate Openeye Name: 5-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-nitro-benzoate CAS Name: 5-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-2-nitrobenzoate IUPAC Name: 5-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-nitrobenzoate Traditional Name: 5-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-nitro-benzoate Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4/c1-15-7-5-10(6-8-15)16(2)11-3-4-13(17(20)21)12(9-11)14(18)19/h3-4,9-10H,5-8H2,1-2H3,(H,18,19)