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

Systemtic Name: N-[5-ethyl-3-[(S)-(4-methylsulfanylphenyl)-piperidin-1-ium-1-yl-methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[(S)-(4-methylsulfanylphenyl)-piperidin-1-ium-1-yl-methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[(S)-[4-(methylthio)phenyl]-(1-piperidin-1-iumyl)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[(S)-(4-methylsulfanylphenyl)-piperidin-1-ium-1-ylmethyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(S)-[4-(methylthio)phenyl]-piperidin-1-ium-1-yl-methyl]-2-thienyl]benzamide Formula: C26H31N2OS2+ MolecularWeight: 451.66714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)SC)[NH+]4CCCCC4

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)[C@H](C3=CC=C(C=C3)SC)[NH+]4CCCCC4

InChI

InChI=1S/C26H30N2OS2/c1-3-21-18-23(26(31-21)27-25(29)20-10-6-4-7-11-20)24(28-16-8-5-9-17-28)19-12-14-22(30-2)15-13-19/h4,6-7,10-15,18,24H,3,5,8-9,16-17H2,1-2H3,(H,27,29)/p+1/t24-/m0/s1