N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide Formula: C25H32N3O4S+ MolecularWeight: 470.60428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(=CC2)C3=CC=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(=CC2)C3=CC=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H31N3O4S/c1-2-32-23-11-10-22(18-24(23)33(30,31)28-14-6-7-15-28)26-25(29)19-27-16-12-21(13-17-27)20-8-4-3-5-9-20/h3-5,8-12,18H,2,6-7,13-17,19H2,1H3,(H,26,29)/p+1