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

Systemtic Name: butyl 4-[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3/c1-2-3-14-25-19(24)16-4-6-17(7-5-16)20-18(23)15-22-11-8-21(9-12-22)10-13-22/h4-7H,2-3,8-15H2,1H3/p+1