4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-3-nitro-benzoate

Systemtic Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-3-nitro-benzoate Openeye Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-3-nitro-benzoate CAS Name: 4-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-3-nitrobenzoate IUPAC Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-3-nitrobenzoate Traditional Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-3-nitro-benzoate Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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