2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)benzamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzamide CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]-N-(1-propan-2-yl-4-piperidin-1-iumyl)benzamide IUPAC Name: 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)benzamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-2-[[(4-methylthiazol-2-yl)thio]methyl]benzamide Formula: C20H28N3OS2+ MolecularWeight: 390.58582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)NC3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)NC3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C20H27N3OS2/c1-14(2)23-10-8-17(9-11-23)22-19(24)18-7-5-4-6-16(18)13-26-20-21-15(3)12-25-20/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,22,24)/p+1