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

Systemtic Name: methyl 4-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-12-4-3-9-18(10-12)11-15(19)17-14-7-5-13(6-8-14)16(20)21-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,19)/p+1/t12-/m0/s1