2-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-methylsulfanyl-benzamide

Systemtic Name: 2-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-methylsulfanyl-benzamide Openeye Name: 2-methoxy-N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methylsulfanyl-benzamide CAS Name: 2-methoxy-N-[(2S)-2-(5-methyl-2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]-4-(methylthio)benzamide IUPAC Name: 2-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-ylethyl]-4-methylsulfanylbenzamide Traditional Name: 2-methoxy-N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(methylthio)benzamide Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=C(C=C(C=C2)SC)OC)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=C(C=C(C=C2)SC)OC)[NH+]3CCOCC3

InChI

InChI=1S/C20H26N2O4S/c1-14-4-7-18(26-14)17(22-8-10-25-11-9-22)13-21-20(23)16-6-5-15(27-3)12-19(16)24-2/h4-7,12,17H,8-11,13H2,1-3H3,(H,21,23)/p+1/t17-/m0/s1