[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: [(2R)-1-amino-1-oxopropan-2-yl]-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl]-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: [(1R)-2-amino-2-keto-1-methyl-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C12H16N3OS+ MolecularWeight: 250.33994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH+](C)CC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@H](C(=O)N)[NH+](C)CC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H15N3OS/c1-8(12(13)16)15(2)7-11-14-9-5-3-4-6-10(9)17-11/h3-6,8H,7H2,1-2H3,(H2,13,16)/p+1/t8-/m1/s1