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

Systemtic Name: 4-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]ethoxy]benzoate Openeye Name: 4-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)ammonio]ethoxy]benzoate CAS Name: 4-[2-[methyl-(1-methyl-4-piperidin-1-iumyl)ammonio]ethoxy]benzoate IUPAC Name: 4-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]ethoxy]benzoate Traditional Name: 4-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)ammonio]ethoxy]benzoate Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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