1-butyl-4-(phenylmethyl)-1,2,3,4-tetrazol-5-imine hydrochloride

Systemtic Name: 1-butyl-4-(phenylmethyl)-1,2,3,4-tetrazol-5-imine hydrochloride Openeye Name: 1-benzyl-4-butyl-tetrazol-5-imine hydrochloride CAS Name: 1-butyl-4-(phenylmethyl)-5-tetrazolimine hydrochloride IUPAC Name: 1-benzyl-4-butyltetrazol-5-imine hydrochloride Traditional Name: (1-benzyl-4-butyl-tetrazol-5-ylidene)amine hydrochloride Formula: C12H18ClN5 MolecularWeight: 267.75782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=N)N(N=N1)CC2=CC=CC=C2.Cl

Isomeric SMILES

CCCCN1C(=N)N(N=N1)CC2=CC=CC=C2.Cl

InChI

InChI=1S/C12H17N5.ClH/c1-2-3-9-16-12(13)17(15-14-16)10-11-7-5-4-6-8-11;/h4-8,13H,2-3,9-10H2,1H3;1H