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

Systemtic Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S/c27-23(18-25-16-12-20(13-17-25)19-6-2-1-3-7-19)24-21-8-10-22(11-9-21)30(28,29)26-14-4-5-15-26/h1-3,6-12H,4-5,13-18H2,(H,24,27)/p+1