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

Systemtic Name: N1,N4-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]-2-nitro-benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid Openeye Name: N1,N4-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]-2-nitro-terephthalamide; 4-methylbenzenesulfonic acid CAS Name: N1,N4-bis[4-(1-ethyl-4-pyridin-1-iumyl)phenyl]-2-nitrobenzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: 1-N,4-N-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid Traditional Name: N,N'-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]-2-nitro-terephthalamide; tosylic acid Formula: C41H39N5O7S+2 MolecularWeight: 745.84266

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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)[N+](=O)[O-].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)[N+](=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C34H29N5O4.C7H8O3S/c1-3-37-19-15-26(16-20-37)24-5-10-29(11-6-24)35-33(40)28-9-14-31(32(23-28)39(42)43)34(41)36-30-12-7-25(8-13-30)27-17-21-38(4-2)22-18-27;1-6-2-4-7(5-3-6)11(8,9)10/h5-23H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)/p+2