1-[(E)-2-(1-phenyl-1,2,3,4-tetrazol-5-yl)ethenyl]azepan-1-ium

Systemtic Name: 1-[(E)-2-(1-phenyl-1,2,3,4-tetrazol-5-yl)ethenyl]azepan-1-ium Openeye Name: 1-[(E)-2-(1-phenyltetrazol-5-yl)vinyl]azepan-1-ium CAS Name: 1-[(E)-2-(1-phenyl-5-tetrazolyl)ethenyl]azepan-1-ium IUPAC Name: 1-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]azepan-1-ium Traditional Name: 1-[(E)-2-(1-phenyltetrazol-5-yl)vinyl]azepan-1-ium Formula: C15H20N5+ MolecularWeight: 270.3528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C=CC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)/C=C/C2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C15H19N5/c1-2-7-12-19(11-6-1)13-10-15-16-17-18-20(15)14-8-4-3-5-9-14/h3-5,8-10,13H,1-2,6-7,11-12H2/p+1/b13-10+