N1,N4-bis[4-(1-ethylpyridin-1-ium-3-yl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate

Systemtic Name: N1,N4-bis[4-(1-ethylpyridin-1-ium-3-yl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate Openeye Name: N1,N4-bis[4-(1-ethylpyridin-1-ium-3-yl)phenyl]terephthalamide; 4-methylbenzenesulfonate CAS Name: N1,N4-bis[4-(1-ethyl-3-pyridin-1-iumyl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate IUPAC Name: 1-N,4-N-bis[4-(1-ethylpyridin-1-ium-3-yl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate Traditional Name: N,N'-bis[4-(1-ethylpyridin-1-ium-3-yl)phenyl]terephthalamide ditosylate Formula: C48H46N4O8S2 MolecularWeight: 871.03084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H30N4O2.2C7H8O3S/c1-3-37-21-5-7-29(23-37)25-13-17-31(18-14-25)35-33(39)27-9-11-28(12-10-27)34(40)36-32-19-15-26(16-20-32)30-8-6-22-38(4-2)24-30;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-24H,3-4H2,1-2H3;2*2-5H,1H3,(H,8,9,10)