N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCC2)S(=O)(=O)N3CCCCC3

InChI

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