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

Systemtic Name: 2-methylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-methylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-(methylthio)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-methylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-(methylthio)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C20H24N2OS/c1-24-19-7-3-2-6-18(19)20(23)21-14-16-8-10-17(11-9-16)15-22-12-4-5-13-22/h2-3,6-11H,4-5,12-15H2,1H3,(H,21,23)/p+1