2-[4-chloranyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]ethanoate

Systemtic Name: 2-[4-chloranyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]ethanoate Openeye Name: 2-[4-chloro-3-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]acetate CAS Name: 2-[4-chloro-3-[(4-methyl-1-piperidin-1-iumyl)methyl]phenoxy]acetate IUPAC Name: 2-[4-chloro-3-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]acetate Traditional Name: 2-[4-chloro-3-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]acetate Formula: C15H20ClNO3 MolecularWeight: 297.7772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClNO3/c1-11-4-6-17(7-5-11)9-12-8-13(2-3-14(12)16)20-10-15(18)19/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,19)