2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-2-(2-hydroxyethyloxy)-5-iodanyl-phenyl]ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-2-(2-hydroxyethyloxy)-5-iodanyl-phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-2-(2-hydroxyethoxy)-5-iodo-phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-2-(2-hydroxyethoxy)-5-iodophenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-2-(2-hydroxyethoxy)-5-iodophenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-ethyl-2-(2-hydroxyethoxy)-5-iodo-phenyl]acetate hydrochloride Formula: C19H22ClIN3O4- MolecularWeight: 518.75315

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1OCCO)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)I.Cl

Isomeric SMILES

CCC1=CC(=CC(=C1OCCO)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)I.Cl

InChI

InChI=1S/C19H22IN3O4.ClH/c1-2-11-9-13(20)10-15(17(11)27-8-7-24)16(19(25)26)23-14-5-3-12(4-6-14)18(21)22;/h3-6,9-10,16,23-24H,2,7-8H2,1H3,(H3,21,22)(H,25,26);1H/p-1