N,N-dimethyl-4-[(2S,5S)-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazolidin-3-ium-2-yl]aniline

Systemtic Name: N,N-dimethyl-4-[(2S,5S)-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazolidin-3-ium-2-yl]aniline Openeye Name: N,N-dimethyl-4-[(2S,5S)-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]oxazolidin-3-ium-2-yl]aniline CAS Name: N,N-dimethyl-4-[(2S,5S)-5-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-oxazolidin-3-iumyl]aniline IUPAC Name: N,N-dimethyl-4-[(2S,5S)-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazolidin-3-ium-2-yl]aniline Traditional Name: dimethyl-[4-[(2S,5S)-5-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]oxazolidin-3-ium-2-yl]phenyl]amine Formula: C20H24N5OS+ MolecularWeight: 382.50246

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2[NH2+]CC(O2)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H]2[NH2+]C[C@H](O2)CSC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C20H23N5OS/c1-24(2)16-10-8-15(9-11-16)19-21-12-18(26-19)13-27-20-23-22-14-25(20)17-6-4-3-5-7-17/h3-11,14,18-19,21H,12-13H2,1-2H3/p+1/t18-,19-/m0/s1