5-methyl-4-[[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-(4-methylsulfanylphenyl)-1,3-oxazole

Systemtic Name: 5-methyl-4-[[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-(4-methylsulfanylphenyl)-1,3-oxazole Openeye Name: 5-methyl-4-[[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-(4-methylsulfanylphenyl)oxazole CAS Name: 5-methyl-4-[[(2S)-2-(1-methyl-2-imidazolyl)-1-piperidin-1-iumyl]methyl]-2-[4-(methylthio)phenyl]oxazole IUPAC Name: 5-methyl-4-[[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-(4-methylsulfanylphenyl)-1,3-oxazole Traditional Name: 5-methyl-4-[[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-[4-(methylthio)phenyl]oxazole Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)SC)C[NH+]3CCCCC3C4=NC=CN4C

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)SC)C[NH+]3CCCC[C@H]3C4=NC=CN4C

InChI

InChI=1S/C21H26N4OS/c1-15-18(23-21(26-15)16-7-9-17(27-3)10-8-16)14-25-12-5-4-6-19(25)20-22-11-13-24(20)2/h7-11,13,19H,4-6,12,14H2,1-3H3/p+1/t19-/m0/s1