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

Systemtic Name: N1,N4-bis[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid Openeye Name: N1,N4-bis[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]terephthalamide; 4-methylbenzenesulfonic acid CAS Name: N1,N4-bis[4-[(1-methyl-4-pyridin-1-iumyl)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: 1-N,4-N-bis[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid Traditional Name: N,N'-bis[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]terephthalamide; tosylic acid Formula: C39H38N6O5S+2 MolecularWeight: 702.82122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)NC5=CC=[N+](C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)NC5=CC=[N+](C=C5)C

InChI

InChI=1S/C32H28N6O2.C7H8O3S/c1-37-19-15-29(16-20-37)33-25-7-11-27(12-8-25)35-31(39)23-3-5-24(6-4-23)32(40)36-28-13-9-26(10-14-28)34-30-17-21-38(2)22-18-30;1-6-2-4-7(5-3-6)11(8,9)10/h3-22H,1-2H3,(H2,35,36,39,40);2-5H,1H3,(H,8,9,10)/p+2