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

Systemtic Name: methyl 4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H21NO2/c1-12-4-3-9-16(10-12)11-13-5-7-14(8-6-13)15(17)18-2/h5-8,12H,3-4,9-11H2,1-2H3/p+1/t12-/m0/s1