3-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]propanoate

Systemtic Name: 3-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]propanoate Openeye Name: 3-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]propanoate CAS Name: 3-[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenoxy]propanoate IUPAC Name: 3-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]propanoate Traditional Name: 3-[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)OCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-13-6-9-17(10-7-13)12-14-2-4-15(5-3-14)20-11-8-16(18)19/h2-5,13H,6-12H2,1H3,(H,18,19)