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

Systemtic Name: 2-cyanoethyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoate dihydrochloride Openeye Name: 2-cyanoethyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetate dihydrochloride CAS Name: 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetic acid 2-cyanoethyl ester dihydrochloride IUPAC Name: 2-cyanoethyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetate dihydrochloride Traditional Name: 2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]acetic acid 2-cyanoethyl ester dihydrochloride Formula: C21H22Cl2N6O2 MolecularWeight: 461.34438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CC(=O)OCCC#N)C(=N)N.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CC(=O)OCCC#N)C(=N)N.Cl.Cl

InChI

InChI=1S/C21H20N6O2.2ClH/c22-8-1-9-29-18(28)11-16-15-7-6-14(21(25)26)10-17(15)27-19(16)12-2-4-13(5-3-12)20(23)24;;/h2-7,10,27H,1,9,11H2,(H3,23,24)(H3,25,26);2*1H