methyl 2-[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]benzoic acid methyl ester Formula: C16H22N3O3+ MolecularWeight: 304.36418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C[N+]23CCN(CC2)CC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C[N+]23CCN(CC2)CC3

InChI

InChI=1S/C16H21N3O3/c1-22-16(21)13-4-2-3-5-14(13)17-15(20)12-19-9-6-18(7-10-19)8-11-19/h2-5H,6-12H2,1H3/p+1