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

Systemtic Name: ethyl 4-[2-[(4R)-2-(4-methylpiperazin-4-ium-1-yl)-5-oxidanylidene-1,4-dihydroimidazol-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4R)-2-(4-methylpiperazin-4-ium-1-yl)-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4R)-2-(4-methyl-1-piperazin-4-iumyl)-5-oxo-1,4-dihydroimidazol-4-yl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4R)-2-(4-methylpiperazin-4-ium-1-yl)-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4R)-5-keto-2-(4-methylpiperazin-4-ium-1-yl)-2-imidazolin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C19H26N5O4+ MolecularWeight: 388.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=N2)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)NC(=N2)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H25N5O4/c1-3-28-18(27)13-4-6-14(7-5-13)20-16(25)12-15-17(26)22-19(21-15)24-10-8-23(2)9-11-24/h4-7,15H,3,8-12H2,1-2H3,(H,20,25)(H,21,22,26)/p+1/t15-/m1/s1