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

Systemtic Name: [(2S)-1-[2-(1,3-benzodioxol-5-ylmethylamino)-1,3-thiazol-4-yl]propan-2-yl]azanium Openeye Name: [(1S)-2-[2-(1,3-benzodioxol-5-ylmethylamino)thiazol-4-yl]-1-methyl-ethyl]ammonium CAS Name: [(2S)-1-[2-(1,3-benzodioxol-5-ylmethylamino)-4-thiazolyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(1,3-benzodioxol-5-ylmethylamino)-1,3-thiazol-4-yl]propan-2-yl]azanium Traditional Name: [(1S)-1-methyl-2-[2-(piperonylamino)thiazol-4-yl]ethyl]ammonium Formula: C14H18N3O2S+ MolecularWeight: 292.37662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CSC(=N1)NCC2=CC3=C(C=C2)OCO3)[NH3+]

Isomeric SMILES

C[C@@H](CC1=CSC(=N1)NCC2=CC3=C(C=C2)OCO3)[NH3+]

InChI

InChI=1S/C14H17N3O2S/c1-9(15)4-11-7-20-14(17-11)16-6-10-2-3-12-13(5-10)19-8-18-12/h2-3,5,7,9H,4,6,8,15H2,1H3,(H,16,17)/p+1/t9-/m0/s1