N-[4-[2-(1-heptylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-(1-heptylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]ethanamide Openeye Name: N-[4-[2-(1-heptylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]acetamide CAS Name: N-[4-[2-(1-heptyl-4-pyridin-1-iumyl)ethylsulfonyl]phenyl]acetamide IUPAC Name: N-[4-[2-(1-heptylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]acetamide Traditional Name: N-[4-[2-(1-heptylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]acetamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CC=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCCCCCC[N+]1=CC=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C22H30N2O3S/c1-3-4-5-6-7-15-24-16-12-20(13-17-24)14-18-28(26,27)22-10-8-21(9-11-22)23-19(2)25/h8-13,16-17H,3-7,14-15,18H2,1-2H3/p+1