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

Systemtic Name: 2-methoxy-4-methylsulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-methoxy-4-methylsulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-methoxy-4-(methylthio)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-methoxy-4-methylsulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-methoxy-4-(methylthio)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C21H26N2O2S/c1-25-20-13-18(26-2)9-10-19(20)21(24)22-14-16-7-3-4-8-17(16)15-23-11-5-6-12-23/h3-4,7-10,13H,5-6,11-12,14-15H2,1-2H3,(H,22,24)/p+1