N-(3-methylsulfanylpropyl)-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-(3-methylsulfanylpropyl)-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-(3-methylsulfanylpropyl)-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[3-(methylthio)propyl]-3-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-(3-methylsulfanylpropyl)-3-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[3-(methylthio)propyl]-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C24H33N2O2S+ MolecularWeight: 413.59602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CSCCCNC(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O2S/c1-29-18-6-14-25-24(27)21-9-5-10-23(19-21)28-22-12-16-26(17-13-22)15-11-20-7-3-2-4-8-20/h2-5,7-10,19,22H,6,11-18H2,1H3,(H,25,27)/p+1