[(2S)-5-methylhexan-2-yl]-[(2-phenyl-1,2,3-triazol-4-yl)methyl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[(2-phenyl-1,2,3-triazol-4-yl)methyl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(2-phenyltriazol-4-yl)methyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[(2-phenyl-4-triazolyl)methyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[(2-phenyltriazol-4-yl)methyl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[(2-phenyltriazol-4-yl)methyl]ammonium Formula: C16H25N4+ MolecularWeight: 273.3965

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]CC1=NN(N=C1)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](CCC(C)C)[NH2+]CC1=NN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H24N4/c1-13(2)9-10-14(3)17-11-15-12-18-20(19-15)16-7-5-4-6-8-16/h4-8,12-14,17H,9-11H2,1-3H3/p+1/t14-/m0/s1