[(2S)-1-[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]propan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]propan-2-yl]azanium Openeye Name: [(1S)-2-[2-(1,3-benzodioxol-5-ylamino)thiazol-4-yl]-1-methyl-ethyl]ammonium CAS Name: [(2S)-1-[2-(1,3-benzodioxol-5-ylamino)-4-thiazolyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]propan-2-yl]azanium Traditional Name: [(1S)-2-[2-(1,3-benzodioxol-5-ylamino)thiazol-4-yl]-1-methyl-ethyl]ammonium Formula: C13H16N3O2S+ MolecularWeight: 278.35004

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CSC(=N1)NC2=CC3=C(C=C2)OCO3)[NH3+]

Isomeric SMILES

C[C@@H](CC1=CSC(=N1)NC2=CC3=C(C=C2)OCO3)[NH3+]

InChI

InChI=1S/C13H15N3O2S/c1-8(14)4-10-6-19-13(16-10)15-9-2-3-11-12(5-9)18-7-17-11/h2-3,5-6,8H,4,7,14H2,1H3,(H,15,16)/p+1/t8-/m0/s1