2-[2-(2-azanyl-2-oxidanylidene-ethoxy)-5-bromanyl-3-ethyl-phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoate hydrochloride

Systemtic Name: 2-[2-(2-azanyl-2-oxidanylidene-ethoxy)-5-bromanyl-3-ethyl-phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoate hydrochloride Openeye Name: 2-[2-(2-amino-2-oxo-ethoxy)-5-bromo-3-ethyl-phenyl]-2-(4-carbamimidoylanilino)acetate hydrochloride CAS Name: 2-[2-(2-amino-2-oxoethoxy)-5-bromo-3-ethylphenyl]-2-(4-carbamimidoylanilino)acetate hydrochloride IUPAC Name: 2-[2-(2-amino-2-oxoethoxy)-5-bromo-3-ethylphenyl]-2-(4-carbamimidoylanilino)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[2-(2-amino-2-keto-ethoxy)-5-bromo-3-ethyl-phenyl]acetate hydrochloride Formula: C19H21BrClN4O4- MolecularWeight: 484.75144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1OCC(=O)N)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)Br.Cl

Isomeric SMILES

CCC1=CC(=CC(=C1OCC(=O)N)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)Br.Cl

InChI

InChI=1S/C19H21BrN4O4.ClH/c1-2-10-7-12(20)8-14(17(10)28-9-15(21)25)16(19(26)27)24-13-5-3-11(4-6-13)18(22)23;/h3-8,16,24H,2,9H2,1H3,(H2,21,25)(H3,22,23)(H,26,27);1H/p-1