N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C24H31N2O4S+ MolecularWeight: 443.57894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NC3CCS(=O)(=O)C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H30N2O4S/c27-24(25-21-13-17-31(28,29)18-21)20-6-8-22(9-7-20)30-23-11-15-26(16-12-23)14-10-19-4-2-1-3-5-19/h1-9,21,23H,10-18H2,(H,25,27)/p+1/t21-/m0/s1