N-methyl-2-methylsulfanyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-methyl-2-methylsulfanyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-methyl-2-methylsulfanyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiazole-4-carboxamide CAS Name: N-methyl-2-(methylthio)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-4-thiazolecarboxamide IUPAC Name: N-methyl-2-methylsulfanyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-methyl-2-(methylthio)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiazole-4-carboxamide Formula: C19H26N3OS2+ MolecularWeight: 376.55924

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CSC(=N3)SC

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CSC(=N3)SC

InChI

InChI=1S/C19H25N3OS2/c1-21(18(23)17-14-25-19(20-17)24-2)16-9-6-11-22(13-16)12-10-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3/p+1/t16-/m0/s1