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

Systemtic Name: 2-chloranyl-5-methylsulfanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-chloro-5-methylsulfanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-chloro-5-(methylthio)-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-chloro-5-methylsulfanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-chloro-5-(methylthio)-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]benzamide Formula: C20H24ClN2O2S+ MolecularWeight: 391.93476

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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+]3CCOCC3

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C20H23ClN2O2S/c1-26-17-6-7-19(21)18(12-17)20(24)22-13-15-2-4-16(5-3-15)14-23-8-10-25-11-9-23/h2-7,12H,8-11,13-14H2,1H3,(H,22,24)/p+1