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

Systemtic Name: methyl 4-[2-(azepan-1-ium-1-yl)ethoxy]benzoate Openeye Name: methyl 4-[2-(azepan-1-ium-1-yl)ethoxy]benzoate CAS Name: 4-[2-(1-azepan-1-iumyl)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(azepan-1-ium-1-yl)ethoxy]benzoate Traditional Name: 4-[2-(azepan-1-ium-1-yl)ethoxy]benzoic acid methyl ester Formula: C16H24NO3+ MolecularWeight: 278.36666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC[NH+]2CCCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC[NH+]2CCCCCC2

InChI

InChI=1S/C16H23NO3/c1-19-16(18)14-6-8-15(9-7-14)20-13-12-17-10-4-2-3-5-11-17/h6-9H,2-5,10-13H2,1H3/p+1