3-(methylsulfanylmethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3-(methylsulfanylmethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-(methylsulfanylmethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-[(methylthio)methyl]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-(methylsulfanylmethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-[(methylthio)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H28N2OS/c1-26-17-20-6-5-7-21(14-20)22(25)23-15-18-8-10-19(11-9-18)16-24-12-3-2-4-13-24/h5-11,14H,2-4,12-13,15-17H2,1H3,(H,23,25)/p+1