N1,N4-bis[4-(1-propylpyridin-1-ium-4-yl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate

Systemtic Name: N1,N4-bis[4-(1-propylpyridin-1-ium-4-yl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate Openeye Name: N1,N4-bis[4-(1-propylpyridin-1-ium-4-yl)phenyl]terephthalamide; 4-methylbenzenesulfonate CAS Name: N1,N4-bis[4-(1-propyl-4-pyridin-1-iumyl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate IUPAC Name: 1-N,4-N-bis[4-(1-propylpyridin-1-ium-4-yl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate Traditional Name: N,N'-bis[4-(1-propylpyridin-1-ium-4-yl)phenyl]terephthalamide ditosylate Formula: C50H50N4O8S2 MolecularWeight: 899.084

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CC=[N+](C=C5)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC[N+]1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CC=[N+](C=C5)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C36H34N4O2.2C7H8O3S/c1-3-21-39-23-17-29(18-24-39)27-9-13-33(14-10-27)37-35(41)31-5-7-32(8-6-31)36(42)38-34-15-11-28(12-16-34)30-19-25-40(22-4-2)26-20-30;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-20,23-26H,3-4,21-22H2,1-2H3;2*2-5H,1H3,(H,8,9,10)