2-methoxy-N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]butan-2-yl]benzamide

Systemtic Name: 2-methoxy-N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]butan-2-yl]benzamide Openeye Name: N-[(1R)-1-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: 2-methoxy-N-[(2R)-4-(methylthio)-1-oxo-1-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]butan-2-yl]benzamide IUPAC Name: N-[(2R)-1-[(1-benzylpiperidin-1-ium-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[(1R)-1-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C25H34N3O3S+ MolecularWeight: 456.62076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)N[C@H](CCSC)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3S/c1-31-23-11-7-6-10-21(23)24(29)27-22(14-17-32-2)25(30)26-20-12-15-28(16-13-20)18-19-8-4-3-5-9-19/h3-11,20,22H,12-18H2,1-2H3,(H,26,30)(H,27,29)/p+1/t22-/m1/s1