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

Systemtic Name: 2-methoxy-4-methylsulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-methoxy-4-methylsulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-methoxy-4-(methylthio)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-methoxy-4-methylsulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-methoxy-4-(methylthio)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C22H28N2O2S/c1-26-21-14-19(27-2)10-11-20(21)22(25)23-15-17-8-4-5-9-18(17)16-24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,23,25)/p+1