(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl-phenethyl-(phenylmethyl)azanium

Systemtic Name: (1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-phenethyl-ammonium CAS Name: (1-tert-butyl-5-tetrazolyl)methyl-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-phenethylazanium Traditional Name: benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-phenethyl-ammonium Formula: C21H28N5+ MolecularWeight: 350.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N5/c1-21(2,3)26-20(22-23-24-26)17-25(16-19-12-8-5-9-13-19)15-14-18-10-6-4-7-11-18/h4-13H,14-17H2,1-3H3/p+1