[(3S)-1-methylpiperidin-1-ium-3-yl] 4-chloranylbenzoate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 4-chloranylbenzoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C13H17ClNO2+ MolecularWeight: 254.73258

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO2/c1-15-8-2-3-12(9-15)17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/p+1/t12-/m0/s1