N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-propylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-propylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-(4-propyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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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)N3CCCCC3)C

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C22H29N3O3S/c1-3-7-19-10-14-24(15-11-19)17-22(26)23-21-16-20(9-8-18(21)2)29(27,28)25-12-5-4-6-13-25/h8-11,14-16H,3-7,12-13,17H2,1-2H3/p+1