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

Systemtic Name: ethyl 4-[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]benzoic acid ethyl ester Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]23CCN(CC2)CC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]23CCN(CC2)CC3

InChI

InChI=1S/C17H23N3O3/c1-2-23-17(22)14-3-5-15(6-4-14)18-16(21)13-20-10-7-19(8-11-20)9-12-20/h3-6H,2,7-13H2,1H3/p+1