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

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-methoxy-4-methylsulfanyl-benzamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-methoxy-4-methylsulfanyl-benzamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-methoxy-4-(methylthio)benzamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-methoxy-4-methylsulfanylbenzamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-methoxy-4-(methylthio)benzamide Formula: C21H26FN2O3S+ MolecularWeight: 405.506143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O3S/c1-26-20-13-17(28-2)7-8-18(20)21(25)23-14-19(24-9-11-27-12-10-24)15-3-5-16(22)6-4-15/h3-8,13,19H,9-12,14H2,1-2H3,(H,23,25)/p+1/t19-/m1/s1