N1,N4-bis[4-(N'-butylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide chloride

Systemtic Name: N1,N4-bis[4-(N'-butylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide chloride Openeye Name: N1,N4-bis[4-(N'-butylcarbamimidoyl)phenyl]terephthalamide chloride CAS Name: N1,N4-bis[4-[amino(butylimino)methyl]phenyl]benzene-1,4-dicarboxamide chloride IUPAC Name: 1-N,4-N-bis[4-(N'-butylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide chloride Traditional Name: N,N'-bis[4-(N'-butylamidino)phenyl]terephthalamide chloride Formula: C30H36ClN6O2- MolecularWeight: 548.09884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NCCCC)N)N.[Cl-]

Isomeric SMILES

CCCCN=C(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NCCCC)N)N.[Cl-]

InChI

InChI=1S/C30H36N6O2.ClH/c1-3-5-19-33-27(31)21-11-15-25(16-12-21)35-29(37)23-7-9-24(10-8-23)30(38)36-26-17-13-22(14-18-26)28(32)34-20-6-4-2;/h7-18H,3-6,19-20H2,1-2H3,(H2,31,33)(H2,32,34)(H,35,37)(H,36,38);1H/p-1