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

Systemtic Name: 1-phenyl-5-[(E)-2-pyrrolidin-1-ium-1-ylethenyl]-1,2,3,4-tetrazole Openeye Name: 1-phenyl-5-[(E)-2-pyrrolidin-1-ium-1-ylvinyl]tetrazole CAS Name: 1-phenyl-5-[(E)-2-(1-pyrrolidin-1-iumyl)ethenyl]tetrazole IUPAC Name: 1-phenyl-5-[(E)-2-pyrrolidin-1-ium-1-ylethenyl]tetrazole Traditional Name: 1-phenyl-5-[(E)-2-pyrrolidin-1-ium-1-ylvinyl]tetrazole Formula: C13H16N5+ MolecularWeight: 242.29964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5/c1-2-6-12(7-3-1)18-13(14-15-16-18)8-11-17-9-4-5-10-17/h1-3,6-8,11H,4-5,9-10H2/p+1/b11-8+