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

Systemtic Name: prop-2-enyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoate dihydrochloride Openeye Name: allyl 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 prop-2-enyl ester dihydrochloride IUPAC Name: prop-2-enyl 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 allyl ester dihydrochloride Formula: C21H23Cl2N5O2 MolecularWeight: 448.34562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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