N-(3-piperidin-1-ylsulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(1-piperidylsulfonyl)phenyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide CAS Name: N-[3-(1-piperidinylsulfonyl)phenyl]-2-(4-propyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(3-piperidinosulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-2-7-18-10-14-23(15-11-18)17-21(25)22-19-8-6-9-20(16-19)28(26,27)24-12-4-3-5-13-24/h6,8-11,14-16H,2-5,7,12-13,17H2,1H3/p+1