4-[4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]benzonitrile CAS Name: 4-[4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]benzonitrile IUPAC Name: 4-[4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]benzonitrile Traditional Name: 4-[4-[5-(aminomethyl)-1-esyl-2H-pyridin-1-ium-1-yl]phenyl]benzonitrile Formula: C21H22N3O2S+ MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N3O2S/c1-2-27(25,26)24(13-3-4-18(15-23)16-24)21-11-9-20(10-12-21)19-7-5-17(14-22)6-8-19/h3-12,16H,2,13,15,23H2,1H3/q+1