4-[[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(1-phenyl-5-tetrazolyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H20N7+ MolecularWeight: 346.409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N7/c20-14-16-6-8-17(9-7-16)15-24-10-12-25(13-11-24)19-21-22-23-26(19)18-4-2-1-3-5-18/h1-9H,10-13,15H2/p+1