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

Systemtic Name: propyl 4-[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethanoylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3/c1-2-13-24-18(23)15-3-5-16(6-4-15)19-17(22)14-21-10-7-20(8-11-21)9-12-21/h3-6H,2,7-14H2,1H3/p+1