N3,N5-bis[4-[bis(4-tert-butylphenyl)-phenyl-methyl]phenyl]-1-methyl-pyridin-1-ium-3,5-dicarboxamide

Systemtic Name: N3,N5-bis[4-[bis(4-tert-butylphenyl)-phenyl-methyl]phenyl]-1-methyl-pyridin-1-ium-3,5-dicarboxamide Openeye Name: N3,N5-bis[4-[bis(4-tert-butylphenyl)-phenyl-methyl]phenyl]-1-methyl-pyridin-1-ium-3,5-dicarboxamide CAS Name: N3,N5-bis[4-[bis(4-tert-butylphenyl)-phenylmethyl]phenyl]-1-methylpyridin-1-ium-3,5-dicarboxamide IUPAC Name: 3-N,5-N-bis[4-[bis(4-tert-butylphenyl)-phenylmethyl]phenyl]-1-methylpyridin-1-ium-3,5-dicarboxamide Traditional Name: N,N'-bis[4-[bis(4-tert-butylphenyl)-phenyl-methyl]phenyl]-1-methyl-pyridin-1-ium-3,5-dicarboxamide Formula: C74H78N3O2+ MolecularWeight: 1041.43002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)NC(=O)C5=CC(=C[N+](=C5)C)C(=O)NC6=CC=C(C=C6)C(C7=CC=CC=C7)(C8=CC=C(C=C8)C(C)(C)C)C9=CC=C(C=C9)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)NC(=O)C5=CC(=C[N+](=C5)C)C(=O)NC6=CC=C(C=C6)C(C7=CC=CC=C7)(C8=CC=C(C=C8)C(C)(C)C)C9=CC=C(C=C9)C(C)(C)C

InChI

InChI=1S/C74H77N3O2/c1-69(2,3)53-24-32-59(33-25-53)73(57-20-16-14-17-21-57,60-34-26-54(27-35-60)70(4,5)6)63-40-44-65(45-41-63)75-67(78)51-48-52(50-77(13)49-51)68(79)76-66-46-42-64(43-47-66)74(58-22-18-15-19-23-58,61-36-28-55(29-37-61)71(7,8)9)62-38-30-56(31-39-62)72(10,11)12/h14-50H,1-13H3,(H-,75,76,78,79)/p+1