1,3-benzothiazol-2-ylmethyl-[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl]-methyl-ammonium Formula: C25H26N3OS+ MolecularWeight: 416.55844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H25N3OS/c1-17-13-14-18(2)21(15-17)27-25(29)24(19-9-5-4-6-10-19)28(3)16-23-26-20-11-7-8-12-22(20)30-23/h4-15,24H,16H2,1-3H3,(H,27,29)/p+1/t24-/m0/s1