4-[4-[6-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]benzenecarbonitrile

Systemtic Name: 4-[4-[6-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]benzenecarbonitrile Openeye Name: 4-[4-[6-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]benzonitrile CAS Name: 4-[4-[6-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]benzonitrile IUPAC Name: 4-[4-[6-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]benzonitrile Traditional Name: 4-[4-[6-(aminomethyl)-1-esyl-2H-pyridin-1-ium-1-yl]phenoxy]benzonitrile Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N3O3S/c1-2-28(25,26)24(14-4-3-5-19(24)16-23)18-8-12-21(13-9-18)27-20-10-6-17(15-22)7-11-20/h3-13H,2,14,16,23H2,1H3/q+1