2-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]benzoate

Systemtic Name: 2-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]benzoate Openeye Name: 2-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]benzoate CAS Name: 2-[[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-oxomethyl]benzoate IUPAC Name: 2-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]benzoate Traditional Name: 2-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]benzoate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C15H20N2O3/c1-16-9-7-11(8-10-16)17(2)14(18)12-5-3-4-6-13(12)15(19)20/h3-6,11H,7-10H2,1-2H3,(H,19,20)