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

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-2-pyrrolidin-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)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCCC3

InChI

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