2-[3-prop-2-enyl-1-(triphenylmethyl)imidazol-1-ium-4-yl]-N-(triphenylmethyl)ethanamine bromide

Systemtic Name: 2-[3-prop-2-enyl-1-(triphenylmethyl)imidazol-1-ium-4-yl]-N-(triphenylmethyl)ethanamine bromide Openeye Name: 2-(3-allyl-1-trityl-imidazol-1-ium-4-yl)-N-trityl-ethanamine bromide CAS Name: 2-[3-prop-2-enyl-1-(triphenylmethyl)-4-imidazol-1-iumyl]-N-(triphenylmethyl)ethanamine bromide IUPAC Name: 2-(3-prop-2-enyl-1-tritylimidazol-1-ium-4-yl)-N-tritylethanamine bromide Traditional Name: 2-(3-allyl-1-trityl-imidazol-1-ium-4-yl)ethyl-trityl-amine bromide Formula: C46H42BrN3 MolecularWeight: 716.74978

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=[N+](C=C1CCNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-]

Isomeric SMILES

C=CCN1C=[N+](C=C1CCNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-]

InChI

InChI=1S/C46H42N3.BrH/c1-2-35-48-37-49(46(41-27-15-6-16-28-41,42-29-17-7-18-30-42)43-31-19-8-20-32-43)36-44(48)33-34-47-45(38-21-9-3-10-22-38,39-23-11-4-12-24-39)40-25-13-5-14-26-40;/h2-32,36-37,47H,1,33-35H2;1H/q+1;/p-1