3-[[2-[4-(diethylcarbamoyl)phenyl]-1-methyl-1-thiophen-2-yl-piperidin-1-ium-4-yl]amino]benzamide

Systemtic Name: 3-[[2-[4-(diethylcarbamoyl)phenyl]-1-methyl-1-thiophen-2-yl-piperidin-1-ium-4-yl]amino]benzamide Openeye Name: 3-[[2-[4-(diethylcarbamoyl)phenyl]-1-methyl-1-(2-thienyl)piperidin-1-ium-4-yl]amino]benzamide CAS Name: 3-[[2-[4-[diethylamino(oxo)methyl]phenyl]-1-methyl-1-thiophen-2-yl-4-piperidin-1-iumyl]amino]benzamide IUPAC Name: 3-[[2-[4-(diethylcarbamoyl)phenyl]-1-methyl-1-thiophen-2-ylpiperidin-1-ium-4-yl]amino]benzamide Traditional Name: 3-[[2-[4-(diethylcarbamoyl)phenyl]-1-methyl-1-(2-thienyl)piperidin-1-ium-4-yl]amino]benzamide Formula: C28H35N4O2S+ MolecularWeight: 491.6681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C2CC(CC[N+]2(C)C3=CC=CS3)NC4=CC=CC(=C4)C(=O)N

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C2CC(CC[N+]2(C)C3=CC=CS3)NC4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C28H34N4O2S/c1-4-31(5-2)28(34)21-13-11-20(12-14-21)25-19-24(15-16-32(25,3)26-10-7-17-35-26)30-23-9-6-8-22(18-23)27(29)33/h6-14,17-18,24-25,30H,4-5,15-16,19H2,1-3H3,(H-,29,33)/p+1