2-chloranyl-5-methylsulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-chloranyl-5-methylsulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-chloro-5-methylsulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-chloro-5-(methylthio)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-chloro-5-methylsulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-chloro-5-(methylthio)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H26ClN2OS+ MolecularWeight: 389.96194

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C21H25ClN2OS/c1-26-18-9-10-20(22)19(13-18)21(25)23-14-16-5-7-17(8-6-16)15-24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,23,25)/p+1