methyl 4-methyl-3-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C17H24N2O3/c1-12-5-4-8-19(10-12)11-16(20)18-15-9-14(17(21)22-3)7-6-13(15)2/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,18,20)/p+1/t12-/m1/s1