2-[2-[2,3-bis(oxidanyl)propoxy]-4-carbamimidoyl-phenyl]-1H-indole-6-carboximidamide dihydrochloride

Systemtic Name: 2-[2-[2,3-bis(oxidanyl)propoxy]-4-carbamimidoyl-phenyl]-1H-indole-6-carboximidamide dihydrochloride Openeye Name: 2-[4-carbamimidoyl-2-(2,3-dihydroxypropoxy)phenyl]-1H-indole-6-carboxamidine dihydrochloride CAS Name: 2-[4-carbamimidoyl-2-(2,3-dihydroxypropoxy)phenyl]-1H-indole-6-carboximidamide dihydrochloride IUPAC Name: 2-[4-carbamimidoyl-2-(2,3-dihydroxypropoxy)phenyl]-1H-indole-6-carboximidamide dihydrochloride Traditional Name: 2-(4-amidino-2-glyceryloxy-phenyl)-1H-indole-6-carboxamidine dihydrochloride Formula: C19H23Cl2N5O3 MolecularWeight: 440.32362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=N)N)NC(=C2)C3=C(C=C(C=C3)C(=N)N)OCC(CO)O.Cl.Cl

Isomeric SMILES

C1=CC2=C(C=C1C(=N)N)NC(=C2)C3=C(C=C(C=C3)C(=N)N)OCC(CO)O.Cl.Cl

InChI

InChI=1S/C19H21N5O3.2ClH/c20-18(21)11-2-1-10-5-16(24-15(10)6-11)14-4-3-12(19(22)23)7-17(14)27-9-13(26)8-25;;/h1-7,13,24-26H,8-9H2,(H3,20,21)(H3,22,23);2*1H