N4-[4-(1-ethylpyridin-1-ium-2-yl)phenyl]-N1-(4-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: N4-[4-(1-ethylpyridin-1-ium-2-yl)phenyl]-N1-(4-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid Openeye Name: N4-[4-(1-ethylpyridin-1-ium-2-yl)phenyl]-N1-[4-(2-pyridyl)phenyl]terephthalamide; 4-methylbenzenesulfonic acid CAS Name: N4-[4-(1-ethyl-2-pyridin-1-iumyl)phenyl]-N1-[4-(2-pyridinyl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: 4-N-[4-(1-ethylpyridin-1-ium-2-yl)phenyl]-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid Traditional Name: N'-[4-(1-ethylpyridin-1-ium-2-yl)phenyl]-N-[4-(2-pyridyl)phenyl]terephthalamide; tosylic acid Formula: C46H43N4O8S2+ MolecularWeight: 843.98562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC=C1C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CC=CC=N5.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=C1C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CC=CC=N5.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C32H26N4O2.2C7H8O3S/c1-2-36-22-6-4-8-30(36)24-15-19-28(20-16-24)35-32(38)26-11-9-25(10-12-26)31(37)34-27-17-13-23(14-18-27)29-7-3-5-21-33-29;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-22H,2H2,1H3,(H,33,34,37);2*2-5H,1H3,(H,8,9,10)/p+1