4-(1,3-dithiolan-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Formula: C23H29N2O3S2+ MolecularWeight: 445.61796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C3SCCS3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)C3SCCS3)[NH+]4CCOCC4

InChI

InChI=1S/C23H28N2O3S2/c1-27-20-8-6-17(7-9-20)21(25-10-12-28-13-11-25)16-24-22(26)18-2-4-19(5-3-18)23-29-14-15-30-23/h2-9,21,23H,10-16H2,1H3,(H,24,26)/p+1/t21-/m0/s1