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

Systemtic Name: 2-chloranyl-5-methylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-chloro-5-methylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-chloro-5-(methylthio)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-chloro-5-methylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-chloro-5-(methylthio)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C20H24ClN2OS+ MolecularWeight: 375.93536

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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+]3CCCC3

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C20H23ClN2OS/c1-25-17-8-9-19(21)18(12-17)20(24)22-13-15-4-6-16(7-5-15)14-23-10-2-3-11-23/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,22,24)/p+1