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

Systemtic Name: 1-methyl-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-ium CAS Name: 1-methyl-4-(1-phenyl-5-tetrazolyl)-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-ium Formula: C13H19N6+ MolecularWeight: 259.33016

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C13H18N6/c1-17-8-5-9-18(11-10-17)13-14-15-16-19(13)12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3/p+1