2-methylsulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-methylsulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-methylsulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-(methylthio)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-methylsulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-(methylthio)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C21H26N2OS/c1-25-20-12-6-5-11-19(20)21(24)22-15-17-9-3-4-10-18(17)16-23-13-7-2-8-14-23/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,22,24)/p+1