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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC=C(C=C2)SC)[NH+]3CCCCC3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CC=C(C=C2)SC)[NH+]3CCCCC3)NC(=O)C4=CC=CC=C4)C

InChI

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