N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H31N3O4S/c1-2-27-19-10-9-17(28(25,26)23-13-7-4-8-14-23)15-18(19)21-20(24)16-22-11-5-3-6-12-22/h9-10,15H,2-8,11-14,16H2,1H3,(H,21,24)/p+1