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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(dimethylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(dimethylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3OS/c1-10(14(18)16(2)3)17(4)9-13-15-11-7-5-6-8-12(11)19-13/h5-8,10H,9H2,1-4H3/p+1/t10-/m1/s1