2-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methylsulfanyl-benzamide

Systemtic Name: 2-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methylsulfanyl-benzamide Openeye Name: 2-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methylsulfanyl-benzamide CAS Name: 2-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-(methylthio)benzamide IUPAC Name: 2-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-4-methylsulfanylbenzamide Traditional Name: 2-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(methylthio)benzamide Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=C(C=C(C=C2)SC)OC)[NH+]3CCOCC3

InChI

InChI=1S/C22H28N2O4S/c1-26-17-6-4-16(5-7-17)20(24-10-12-28-13-11-24)15-23-22(25)19-9-8-18(29-3)14-21(19)27-2/h4-9,14,20H,10-13,15H2,1-3H3,(H,23,25)/p+1/t20-/m0/s1