methyl 4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C19H23N2O2+ MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCCCC2C3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCCC[C@H]2C3=CN=CC=C3

InChI

InChI=1S/C19H22N2O2/c1-23-19(22)16-9-7-15(8-10-16)14-21-12-3-2-6-18(21)17-5-4-11-20-13-17/h4-5,7-11,13,18H,2-3,6,12,14H2,1H3/p+1/t18-/m0/s1