[(2S)-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]ammonium Formula: C11H14N3OS+ MolecularWeight: 236.31336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)[NH3+]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](C)[NH3+]

InChI

InChI=1S/C11H13N3OS/c1-6-3-4-8-9(5-6)16-11(13-8)14-10(15)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14,15)/p+1/t7-/m0/s1