8-[[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium-1-yl]methyl]quinoline Openeye Name: 8-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]quinoline CAS Name: 8-[[4-(1-phenyl-5-tetrazolyl)-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 8-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]quinoline Traditional Name: 8-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]quinoline Formula: C21H22N7+ MolecularWeight: 372.44628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H21N7/c1-2-9-19(10-3-1)28-21(23-24-25-28)27-14-12-26(13-15-27)16-18-7-4-6-17-8-5-11-22-20(17)18/h1-11H,12-16H2/p+1