(2R)-2-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]propanoate

Systemtic Name: (2R)-2-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]propanoate Openeye Name: (2R)-2-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]propanoate CAS Name: (2R)-2-[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenoxy]propanoate IUPAC Name: (2R)-2-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]propanoate Traditional Name: (2R)-2-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]propionate Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)OC(C)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)O[C@H](C)C(=O)[O-]

InChI

InChI=1S/C16H23NO3/c1-12-7-9-17(10-8-12)11-14-3-5-15(6-4-14)20-13(2)16(18)19/h3-6,12-13H,7-11H2,1-2H3,(H,18,19)/t13-/m1/s1