dimethyl 2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C18H25N2O5+ MolecularWeight: 349.4015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5/c1-12-5-4-8-20(10-12)11-16(21)19-15-9-13(17(22)24-2)6-7-14(15)18(23)25-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,19,21)/p+1/t12-/m0/s1