4-[4-[5-(aminomethyl)-1-methylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]benzenecarbonitrile

Systemtic Name: 4-[4-[5-(aminomethyl)-1-methylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]benzenecarbonitrile Openeye Name: 4-[4-[5-(aminomethyl)-1-methylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]benzonitrile CAS Name: 4-[4-[5-(aminomethyl)-1-methylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]benzonitrile IUPAC Name: 4-[4-[5-(aminomethyl)-1-methylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]benzonitrile Traditional Name: 4-[4-[5-(aminomethyl)-1-mesyl-2H-pyridin-1-ium-1-yl]phenoxy]benzonitrile Formula: C20H20N3O3S+ MolecularWeight: 382.4561

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N3O3S/c1-27(24,25)23(12-2-3-17(14-22)15-23)18-6-10-20(11-7-18)26-19-8-4-16(13-21)5-9-19/h2-11,15H,12,14,22H2,1H3/q+1