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

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCC2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCC2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H29N3O4S/c1-2-26-17-9-8-16(20-19(23)15-21-10-4-3-5-11-21)14-18(17)27(24,25)22-12-6-7-13-22/h8-9,14H,2-7,10-13,15H2,1H3,(H,20,23)/p+1