N-[5-ethyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-(4-methylsulfanylphenyl)methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[5-ethyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-(4-methylsulfanylphenyl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-(4-methylsulfanylphenyl)methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[(S)-(4-methyl-1-piperidin-1-iumyl)-[4-(methylthio)phenyl]methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-(4-methylsulfanylphenyl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-[4-(methylthio)phenyl]methyl]-2-thienyl]benzamide Formula: C27H33N2OS2+ MolecularWeight: 465.69372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)SC)[NH+]4CCC(CC4)C

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)[C@H](C3=CC=C(C=C3)SC)[NH+]4CCC(CC4)C

InChI

InChI=1S/C27H32N2OS2/c1-4-22-18-24(27(32-22)28-26(30)21-8-6-5-7-9-21)25(29-16-14-19(2)15-17-29)20-10-12-23(31-3)13-11-20/h5-13,18-19,25H,4,14-17H2,1-3H3,(H,28,30)/p+1/t25-/m0/s1