N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-2-methylsulfanyl-thiazole-4-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methyl-2-(methylthio)-4-thiazolecarboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-2-(methylthio)thiazole-4-carboxamide Formula: C20H26N3OS2+ MolecularWeight: 388.56994

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)C4=CSC(=N4)SC

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)C4=CSC(=N4)SC

InChI

InChI=1S/C20H25N3OS2/c1-22(19(24)18-13-26-20(21-18)25-2)16-8-5-9-23(12-16)17-10-14-6-3-4-7-15(14)11-17/h3-4,6-7,13,16-17H,5,8-12H2,1-2H3/p+1/t16-/m0/s1