N-[4,5-dimethyl-3-[(S)-(4-methylsulfanylphenyl)-morpholin-4-ium-4-yl-methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[4,5-dimethyl-3-[(S)-(4-methylsulfanylphenyl)-morpholin-4-ium-4-yl-methyl]thiophen-2-yl]benzamide Openeye Name: N-[4,5-dimethyl-3-[(S)-(4-methylsulfanylphenyl)-morpholin-4-ium-4-yl-methyl]-2-thienyl]benzamide CAS Name: N-[4,5-dimethyl-3-[(S)-[4-(methylthio)phenyl]-(4-morpholin-4-iumyl)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-(4-methylsulfanylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]benzamide Traditional Name: N-[4,5-dimethyl-3-[(S)-[4-(methylthio)phenyl]-morpholin-4-ium-4-yl-methyl]-2-thienyl]benzamide Formula: C25H29N2O2S2+ MolecularWeight: 453.63996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC=C(C=C2)SC)[NH+]3CCOCC3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CC=C(C=C2)SC)[NH+]3CCOCC3)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N2O2S2/c1-17-18(2)31-25(26-24(28)20-7-5-4-6-8-20)22(17)23(27-13-15-29-16-14-27)19-9-11-21(30-3)12-10-19/h4-12,23H,13-16H2,1-3H3,(H,26,28)/p+1/t23-/m0/s1