3-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethoxy]benzoate

Systemtic Name: 3-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethoxy]benzoate Openeye Name: 3-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethoxy]benzoate CAS Name: 3-[2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]ethoxy]benzoate IUPAC Name: 3-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethoxy]benzoate Traditional Name: 3-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethoxy]benzoate Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)CCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)CCOC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H24N2O3/c1-17-8-6-14(7-9-17)18(2)10-11-21-15-5-3-4-13(12-15)16(19)20/h3-5,12,14H,6-11H2,1-2H3,(H,19,20)