N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-methylsulfanyl-N-phenethyl-benzamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-methylsulfanyl-N-phenethyl-benzamide Openeye Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-methylsulfanyl-N-phenethyl-benzamide CAS Name: N-[(1-methyl-4-piperidin-1-iumyl)methyl]-2-(methylthio)-N-phenethylbenzamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-methylsulfanyl-N-phenethylbenzamide Traditional Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-(methylthio)-N-phenethyl-benzamide Formula: C23H31N2OS+ MolecularWeight: 383.57004

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C23H30N2OS/c1-24-15-12-20(13-16-24)18-25(17-14-19-8-4-3-5-9-19)23(26)21-10-6-7-11-22(21)27-2/h3-11,20H,12-18H2,1-2H3/p+1