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

Systemtic Name: [(2S)-butan-2-yl]-[(2-phenyl-1,2,3-triazol-4-yl)methyl]azanium Openeye Name: [(1S)-1-methylpropyl]-[(2-phenyltriazol-4-yl)methyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(2-phenyl-4-triazolyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(2-phenyltriazol-4-yl)methyl]azanium Traditional Name: [(1S)-1-methylpropyl]-[(2-phenyltriazol-4-yl)methyl]ammonium Formula: C13H19N4+ MolecularWeight: 231.31676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4/c1-3-11(2)14-9-12-10-15-17(16-12)13-7-5-4-6-8-13/h4-8,10-11,14H,3,9H2,1-2H3/p+1/t11-/m0/s1