1-(4-bromophenyl)-5-[(E)-2-pyrrolidin-1-ium-1-ylethenyl]-1,2,3,4-tetrazole

Systemtic Name: 1-(4-bromophenyl)-5-[(E)-2-pyrrolidin-1-ium-1-ylethenyl]-1,2,3,4-tetrazole Openeye Name: 1-(4-bromophenyl)-5-[(E)-2-pyrrolidin-1-ium-1-ylvinyl]tetrazole CAS Name: 1-(4-bromophenyl)-5-[(E)-2-(1-pyrrolidin-1-iumyl)ethenyl]tetrazole IUPAC Name: 1-(4-bromophenyl)-5-[(E)-2-pyrrolidin-1-ium-1-ylethenyl]tetrazole Traditional Name: 1-(4-bromophenyl)-5-[(E)-2-pyrrolidin-1-ium-1-ylvinyl]tetrazole Formula: C13H15BrN5+ MolecularWeight: 321.1957

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C=CC2=NN=NN2C3=CC=C(C=C3)Br

Isomeric SMILES

C1CC[NH+](C1)/C=C/C2=NN=NN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C13H14BrN5/c14-11-3-5-12(6-4-11)19-13(15-16-17-19)7-10-18-8-1-2-9-18/h3-7,10H,1-2,8-9H2/p+1/b10-7+