2-(4-carbamimidoylphenyl)-3-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-indole-6-carboximidamide dihydrochloride

Systemtic Name: 2-(4-carbamimidoylphenyl)-3-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-indole-6-carboximidamide dihydrochloride Openeye Name: 2-(4-carbamimidoylphenyl)-3-[(2-hydroxy-5-nitro-phenyl)methyl]-1H-indole-6-carboxamidine dihydrochloride CAS Name: 2-(4-carbamimidoylphenyl)-3-[(2-hydroxy-5-nitrophenyl)methyl]-1H-indole-6-carboximidamide dihydrochloride IUPAC Name: 2-(4-carbamimidoylphenyl)-3-[(2-hydroxy-5-nitrophenyl)methyl]-1H-indole-6-carboximidamide dihydrochloride Traditional Name: 2-(4-amidinophenyl)-3-(2-hydroxy-5-nitro-benzyl)-1H-indole-6-carboxamidine dihydrochloride Formula: C23H22Cl2N6O3 MolecularWeight: 501.36518

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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)CC4=C(C=CC(=C4)[N+](=O)[O-])O)C(=N)N.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CC4=C(C=CC(=C4)[N+](=O)[O-])O)C(=N)N.Cl.Cl

InChI

InChI=1S/C23H20N6O3.2ClH/c24-22(25)13-3-1-12(2-4-13)21-18(10-15-9-16(29(31)32)6-8-20(15)30)17-7-5-14(23(26)27)11-19(17)28-21;;/h1-9,11,28,30H,10H2,(H3,24,25)(H3,26,27);2*1H