4-[1-(cyclopropylmethyl)imidazol-4-yl]-1-methyl-1-[2-methyl-4-phenyl-3-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-2-propyl-benzimidazol-1-ium

Systemtic Name: 4-[1-(cyclopropylmethyl)imidazol-4-yl]-1-methyl-1-[2-methyl-4-phenyl-3-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-2-propyl-benzimidazol-1-ium Openeye Name: 4-[1-(cyclopropylmethyl)imidazol-4-yl]-1-methyl-1-[2-methyl-4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium CAS Name: 4-[1-(cyclopropylmethyl)-4-imidazolyl]-1-methyl-1-[2-methyl-4-phenyl-3-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-2-propylbenzimidazol-1-ium IUPAC Name: 4-[1-(cyclopropylmethyl)imidazol-4-yl]-1-methyl-1-[2-methyl-4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]-2-propylbenzimidazol-1-ium Traditional Name: 4-[1-(cyclopropylmethyl)imidazol-4-yl]-1-methyl-1-[2-methyl-4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium Formula: C51H47N8+ MolecularWeight: 771.97248

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C)C9=CN(C=N9)CC1CC1

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C)C9=CN(C=N9)CC1CC1

InChI

InChI=1S/C51H47N8/c1-4-18-47-53-49-43(44-34-57(35-52-44)33-37-29-30-37)27-17-28-46(49)59(47,3)45-32-31-42(38-19-9-5-10-20-38)48(36(45)2)50-54-56-58(55-50)51(39-21-11-6-12-22-39,40-23-13-7-14-24-40)41-25-15-8-16-26-41/h5-17,19-28,31-32,34-35,37H,4,18,29-30,33H2,1-3H3/q+1