N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-propylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-propylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(4-propyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C20H24ClN3O3S/c1-2-5-16-8-12-23(13-9-16)15-20(25)22-19-14-17(6-7-18(19)21)28(26,27)24-10-3-4-11-24/h6-9,12-14H,2-5,10-11,15H2,1H3/p+1