methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]ethanoate dihydrochloride

Systemtic Name: methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]ethanoate dihydrochloride Openeye Name: methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]acetate dihydrochloride CAS Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]acetic acid methyl ester dihydrochloride IUPAC Name: methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]acetate dihydrochloride Traditional Name: 2-[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]ethylamino]acetic acid methyl ester dihydrochloride Formula: C21H26Cl2N6O2 MolecularWeight: 465.37614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNCCC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl.Cl

Isomeric SMILES

COC(=O)CNCCC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C21H24N6O2.2ClH/c1-29-18(28)11-26-9-8-16-15-7-6-14(21(24)25)10-17(15)27-19(16)12-2-4-13(5-3-12)20(22)23;;/h2-7,10,26-27H,8-9,11H2,1H3,(H3,22,23)(H3,24,25);2*1H