methyl 2-[1-methyl-6-(2-oxidanyl-2-phenyl-ethyl)piperidin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[1-methyl-6-(2-oxidanyl-2-phenyl-ethyl)piperidin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[6-(2-hydroxy-2-phenyl-ethyl)-1-methyl-piperidin-1-ium-2-yl]acetate CAS Name: 2-[6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-1-ium-2-yl]acetate Traditional Name: 2-[6-(2-hydroxy-2-phenyl-ethyl)-1-methyl-piperidin-1-ium-2-yl]acetic acid methyl ester Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(CCCC1CC(=O)OC)CC(C2=CC=CC=C2)O

Isomeric SMILES

C[NH+]1C(CCCC1CC(=O)OC)CC(C2=CC=CC=C2)O

InChI

InChI=1S/C17H25NO3/c1-18-14(9-6-10-15(18)12-17(20)21-2)11-16(19)13-7-4-3-5-8-13/h3-5,7-8,14-16,19H,6,9-12H2,1-2H3/p+1