methyl (E)-4-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]but-2-enoate dihydrochloride

Systemtic Name: methyl (E)-4-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]but-2-enoate dihydrochloride Openeye Name: methyl (E)-4-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]but-2-enoate dihydrochloride CAS Name: (E)-4-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]-2-butenoic acid methyl ester dihydrochloride IUPAC Name: methyl (E)-4-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]but-2-enoate dihydrochloride Traditional Name: (E)-4-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]but-2-enoic acid methyl ester dihydrochloride Formula: C21H23Cl2N5O2 MolecularWeight: 448.34562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl.Cl

Isomeric SMILES

COC(=O)/C=C/CC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C21H21N5O2.2ClH/c1-28-18(27)4-2-3-16-15-10-9-14(21(24)25)11-17(15)26-19(16)12-5-7-13(8-6-12)20(22)23;;/h2,4-11,26H,3H2,1H3,(H3,22,23)(H3,24,25);2*1H/b4-2+;;