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

Systemtic Name: butan-2-yl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoate dihydrochloride Openeye Name: sec-butyl 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 butan-2-yl ester dihydrochloride IUPAC Name: butan-2-yl 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 sec-butyl ester dihydrochloride Formula: C22H27Cl2N5O2 MolecularWeight: 464.38808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2.2ClH/c1-3-12(2)29-19(28)11-17-16-9-8-15(22(25)26)10-18(16)27-20(17)13-4-6-14(7-5-13)21(23)24;;/h4-10,12,27H,3,11H2,1-2H3,(H3,23,24)(H3,25,26);2*1H