1-[(E)-3-phenylprop-2-enyl]-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium

Systemtic Name: 1-[(E)-3-phenylprop-2-enyl]-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium Openeye Name: 1-[(E)-cinnamyl]-4-(1-phenyltetrazol-5-yl)piperazin-1-ium CAS Name: 1-[(E)-3-phenylprop-2-enyl]-4-(1-phenyl-5-tetrazolyl)piperazin-1-ium IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]-4-(1-phenyltetrazol-5-yl)piperazin-1-ium Traditional Name: 1-[(E)-cinnamyl]-4-(1-phenyltetrazol-5-yl)piperazin-1-ium Formula: C20H23N6+ MolecularWeight: 347.43682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H22N6/c1-3-8-18(9-4-1)10-7-13-24-14-16-25(17-15-24)20-21-22-23-26(20)19-11-5-2-6-12-19/h1-12H,13-17H2/p+1/b10-7+