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

Systemtic Name: ethyl 2-[2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(3-phenyl-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3/c1-2-29-23(28)18-11-6-7-12-19(18)24-21(27)16-25-15-20(17-9-4-3-5-10-17)26-14-8-13-22(25)26/h3-7,9-12,15H,2,8,13-14,16H2,1H3/p+1