3,5-diacetamido-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 3,5-diacetamido-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 3,5-diacetamido-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]benzamide CAS Name: 3,5-diacetamido-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3,5-diacetamido-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]benzamide Traditional Name: 3,5-diacetamido-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]benzamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CC(=CC(=C2)NC(=O)C)NC(=O)C)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=CC(=CC(=C2)NC(=O)C)NC(=O)C)C3=CC=CS3

InChI

InChI=1S/C23H30N4O3S/c1-15-6-8-27(9-7-15)21(22-5-4-10-31-22)14-24-23(30)18-11-19(25-16(2)28)13-20(12-18)26-17(3)29/h4-5,10-13,15,21H,6-9,14H2,1-3H3,(H,24,30)(H,25,28)(H,26,29)/p+1/t21-/m1/s1