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

Systemtic Name: methyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]propanoate dihydrochloride Openeye Name: methyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]propanoate dihydrochloride CAS Name: 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]propanoic acid methyl ester dihydrochloride IUPAC Name: methyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]propanoate dihydrochloride Traditional Name: 2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]propionic acid methyl ester dihydrochloride Formula: C20H23Cl2N5O2 MolecularWeight: 436.33492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N)C(=O)OC.Cl.Cl

Isomeric SMILES

CC(C1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N)C(=O)OC.Cl.Cl

InChI

InChI=1S/C20H21N5O2.2ClH/c1-10(20(26)27-2)16-14-8-7-13(19(23)24)9-15(14)25-17(16)11-3-5-12(6-4-11)18(21)22;;/h3-10,25H,1-2H3,(H3,21,22)(H3,23,24);2*1H