2-azanyl-N1,N4-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide trihydrochloride

Systemtic Name: 2-azanyl-N1,N4-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide trihydrochloride Openeye Name: 2-amino-N1,N4-bis[4-(N'-methylcarbamimidoyl)phenyl]terephthalamide trihydrochloride CAS Name: 2-amino-N1,N4-bis[4-[amino(methylimino)methyl]phenyl]benzene-1,4-dicarboxamide trihydrochloride IUPAC Name: 2-amino-1-N,4-N-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide trihydrochloride Traditional Name: 2-amino-N,N'-bis[4-(N'-methylamidino)phenyl]terephthalamide trihydrochloride Formula: C24H28Cl3N7O2 MolecularWeight: 552.88382

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NC)N)N)N.Cl.Cl.Cl

Isomeric SMILES

CN=C(C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NC)N)N)N.Cl.Cl.Cl

InChI

InChI=1S/C24H25N7O2.3ClH/c1-28-21(26)14-3-8-17(9-4-14)30-23(32)16-7-12-19(20(25)13-16)24(33)31-18-10-5-15(6-11-18)22(27)29-2;;;/h3-13H,25H2,1-2H3,(H2,26,28)(H2,27,29)(H,30,32)(H,31,33);3*1H