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

Systemtic Name: 2-methoxy-4-methylsulfanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-methoxy-4-methylsulfanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-methoxy-4-(methylthio)-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-methoxy-4-methylsulfanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-methoxy-4-(methylthio)-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]benzamide Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C21H26N2O3S/c1-25-20-13-18(27-2)7-8-19(20)21(24)22-14-16-3-5-17(6-4-16)15-23-9-11-26-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24)/p+1