2-methylsulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-methylsulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-methylsulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-(methylthio)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-methylsulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-(methylthio)-N-[4-(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=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

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