ethyl 4-[2-[(4R)-5-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,4-dihydroimidazol-4-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(4R)-5-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,4-dihydroimidazol-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4R)-5-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,4-dihydroimidazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4R)-5-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1,4-dihydroimidazol-4-yl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4R)-5-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,4-dihydroimidazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4R)-5-keto-2-(4-pyridin-1-ium-2-ylpiperazino)-2-imidazolin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C23H27N6O4+ MolecularWeight: 451.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=N2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)NC(=N2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H26N6O4/c1-2-33-22(32)16-6-8-17(9-7-16)25-20(30)15-18-21(31)27-23(26-18)29-13-11-28(12-14-29)19-5-3-4-10-24-19/h3-10,18H,2,11-15H2,1H3,(H,25,30)(H,26,27,31)/p+1/t18-/m1/s1