1,3-benzothiazol-2-ylmethyl-methyl-[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-keto-2-mesidino-1-methyl-ethyl]-methyl-ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c1-13-10-14(2)20(15(3)11-13)23-21(25)16(4)24(5)12-19-22-17-8-6-7-9-18(17)26-19/h6-11,16H,12H2,1-5H3,(H,23,25)/p+1/t16-/m0/s1