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

Systemtic Name: 2-hydroxyethyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoate dihydrochloride Openeye Name: 2-hydroxyethyl 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-hydroxyethyl ester dihydrochloride IUPAC Name: 2-hydroxyethyl 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-hydroxyethyl ester dihydrochloride Formula: C20H23Cl2N5O3 MolecularWeight: 452.33432

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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)OCCO)C(=N)N.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3.2ClH/c21-19(22)12-3-1-11(2-4-12)18-15(10-17(27)28-8-7-26)14-6-5-13(20(23)24)9-16(14)25-18;;/h1-6,9,25-26H,7-8,10H2,(H3,21,22)(H3,23,24);2*1H