[(3S,4S)-3-(1,2,4-triazol-1-yl)heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-(1,2,4-triazol-1-yl)heptan-4-yl]azanium Openeye Name: [(1S,2S)-1-propyl-2-(1,2,4-triazol-1-yl)butyl]ammonium CAS Name: [(3S,4S)-3-(1,2,4-triazol-1-yl)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(1,2,4-triazol-1-yl)heptan-4-yl]azanium Traditional Name: [(1S,2S)-1-propyl-2-(1,2,4-triazol-1-yl)butyl]ammonium Formula: C9H19N4+ MolecularWeight: 183.27396

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)N1C=NC=N1)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)N1C=NC=N1)[NH3+]

InChI

InChI=1S/C9H18N4/c1-3-5-8(10)9(4-2)13-7-11-6-12-13/h6-9H,3-5,10H2,1-2H3/p+1/t8-,9-/m0/s1