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

Systemtic Name: 2-methyl-5-methylsulfanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-methyl-5-methylsulfanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-methyl-5-(methylthio)-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-methyl-5-methylsulfanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-methyl-5-(methylthio)-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]benzamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

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