2-(azocan-1-ium-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-(3-piperidinosulfonylphenyl)acetamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H31N3O3S/c24-20(17-22-12-5-2-1-3-6-13-22)21-18-10-9-11-19(16-18)27(25,26)23-14-7-4-8-15-23/h9-11,16H,1-8,12-15,17H2,(H,21,24)/p+1