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

Systemtic Name: 2-methoxy-4-methylsulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 2-methoxy-4-methylsulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 2-methoxy-4-(methylthio)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 2-methoxy-4-methylsulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 2-methoxy-4-(methylthio)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide Formula: C19H25N2O3S2+ MolecularWeight: 393.5434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C19H24N2O3S2/c1-23-17-12-14(25-2)5-6-15(17)19(22)20-13-16(18-4-3-11-26-18)21-7-9-24-10-8-21/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,20,22)/p+1/t16-/m0/s1