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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N3OS/c1-13-8-7-9-14(2)19(13)22-20(24)15(3)23(4)12-18-21-16-10-5-6-11-17(16)25-18/h5-11,15H,12H2,1-4H3,(H,22,24)/p+1/t15-/m0/s1