methyl 4-[2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-phenyl-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C22H22N3O3+ MolecularWeight: 376.42838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3/c1-28-22(27)17-9-11-18(12-10-17)23-20(26)15-24-14-19(16-6-3-2-4-7-16)25-13-5-8-21(24)25/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3/p+1