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

Systemtic Name: N1,N4-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid Openeye Name: N1,N4-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]terephthalamide; 4-methylbenzenesulfonic acid CAS Name: N1,N4-bis[4-(1-ethyl-4-pyridin-1-iumyl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: 1-N,4-N-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid Traditional Name: N,N'-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]terephthalamide; tosylic acid Formula: C41H40N4O5S+2 MolecularWeight: 700.8451

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Descriptors Computed from Structure

Canonical SMILES:

CC[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)CC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC[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)CC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

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