1-(1-phenyl-1,2,3,4-tetrazol-5-yl)-1,4-diazepan-4-ium

Systemtic Name: 1-(1-phenyl-1,2,3,4-tetrazol-5-yl)-1,4-diazepan-4-ium Openeye Name: 1-(1-phenyltetrazol-5-yl)-1,4-diazepan-4-ium CAS Name: 1-(1-phenyl-5-tetrazolyl)-1,4-diazepan-4-ium IUPAC Name: 1-(1-phenyltetrazol-5-yl)-1,4-diazepan-4-ium Traditional Name: 1-(1-phenyltetrazol-5-yl)-1,4-diazepan-4-ium Formula: C12H17N6+ MolecularWeight: 245.30358

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C12H16N6/c1-2-5-11(6-3-1)18-12(14-15-16-18)17-9-4-7-13-8-10-17/h1-3,5-6,13H,4,7-10H2/p+1