methyl 2-[2-(azocan-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(azocan-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(1-azocan-1-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C17H24N2O3/c1-22-17(21)14-9-5-6-10-15(14)18-16(20)13-19-11-7-3-2-4-8-12-19/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,18,20)/p+1