4-[(2S,5S)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-oxazolidin-3-ium-2-yl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(2S,5S)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-oxazolidin-3-ium-2-yl]-N,N-dimethyl-aniline Openeye Name: 4-[(2S,5S)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)oxazolidin-3-ium-2-yl]-N,N-dimethyl-aniline CAS Name: 4-[(2S,5S)-5-[(1,3-benzothiazol-2-ylthio)methyl]-2-oxazolidin-3-iumyl]-N,N-dimethylaniline IUPAC Name: 4-[(2S,5S)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-oxazolidin-3-ium-2-yl]-N,N-dimethylaniline Traditional Name: [4-[(2S,5S)-5-[(1,3-benzothiazol-2-ylthio)methyl]oxazolidin-3-ium-2-yl]phenyl]-dimethyl-amine Formula: C19H22N3OS2+ MolecularWeight: 372.52748

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2[NH2+]CC(O2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H]2[NH2+]C[C@H](O2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N3OS2/c1-22(2)14-9-7-13(8-10-14)18-20-11-15(23-18)12-24-19-21-16-5-3-4-6-17(16)25-19/h3-10,15,18,20H,11-12H2,1-2H3/p+1/t15-,18-/m0/s1