N-(2-ethoxy-5-morpholin-4-ylsulfonyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(2-ethoxy-5-morpholin-4-ylsulfonyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(2-ethoxy-5-morpholinosulfonyl-phenyl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[2-ethoxy-5-(4-morpholinylsulfonyl)phenyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(2-ethoxy-5-morpholinosulfonyl-phenyl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C18H27N3O5S/c1-2-26-17-6-5-15(27(23,24)21-9-11-25-12-10-21)13-16(17)19-18(22)14-20-7-3-4-8-20/h5-6,13H,2-4,7-12,14H2,1H3,(H,19,22)/p+1