4,5-bis(chloranyl)-2-[(2-methyl-1-pyrrolidin-1-ium-1-yl-propan-2-yl)carbamoyl]benzoate

Systemtic Name: 4,5-bis(chloranyl)-2-[(2-methyl-1-pyrrolidin-1-ium-1-yl-propan-2-yl)carbamoyl]benzoate Openeye Name: 4,5-dichloro-2-[(1,1-dimethyl-2-pyrrolidin-1-ium-1-yl-ethyl)carbamoyl]benzoate CAS Name: 4,5-dichloro-2-[[[2-methyl-1-(1-pyrrolidin-1-iumyl)propan-2-yl]amino]-oxomethyl]benzoate IUPAC Name: 4,5-dichloro-2-[(2-methyl-1-pyrrolidin-1-ium-1-ylpropan-2-yl)carbamoyl]benzoate Traditional Name: 4,5-dichloro-2-[(1,1-dimethyl-2-pyrrolidin-1-ium-1-yl-ethyl)carbamoyl]benzoate Formula: C16H20Cl2N2O3 MolecularWeight: 359.2476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCCC1)NC(=O)C2=CC(=C(C=C2C(=O)[O-])Cl)Cl

Isomeric SMILES

CC(C)(C[NH+]1CCCC1)NC(=O)C2=CC(=C(C=C2C(=O)[O-])Cl)Cl

InChI

InChI=1S/C16H20Cl2N2O3/c1-16(2,9-20-5-3-4-6-20)19-14(21)10-7-12(17)13(18)8-11(10)15(22)23/h7-8H,3-6,9H2,1-2H3,(H,19,21)(H,22,23)