2-butyl-1-[2-methyl-4-phenyl-3-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]benzimidazol-1-ium-1-amine

Systemtic Name: 2-butyl-1-[2-methyl-4-phenyl-3-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]benzimidazol-1-ium-1-amine Openeye Name: 2-butyl-1-[2-methyl-4-phenyl-3-(1-trityltetrazol-5-yl)phenyl]benzimidazol-1-ium-1-amine CAS Name: 2-butyl-1-[2-methyl-4-phenyl-3-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]-1-benzimidazol-1-iumamine IUPAC Name: 2-butyl-1-[2-methyl-4-phenyl-3-(1-trityltetrazol-5-yl)phenyl]benzimidazol-1-ium-1-amine Traditional Name: [2-butyl-1-[2-methyl-4-phenyl-3-(1-trityltetrazol-5-yl)phenyl]benzimidazol-1-ium-1-yl]amine Formula: C44H40N7+ MolecularWeight: 666.8353

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C)N

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C)N

InChI

InChI=1S/C44H40N7/c1-3-4-29-41-46-38-27-17-18-28-40(38)51(41,45)39-31-30-37(33-19-9-5-10-20-33)42(32(39)2)43-47-48-49-50(43)44(34-21-11-6-12-22-34,35-23-13-7-14-24-35)36-25-15-8-16-26-36/h5-28,30-31H,3-4,29,45H2,1-2H3/q+1