2-[4-[(1-methylpiperidin-1-ium-4-yl)amino]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(1-methylpiperidin-1-ium-4-yl)amino]phenoxy]ethanenitrile Openeye Name: 2-[4-[(1-methylpiperidin-1-ium-4-yl)amino]phenoxy]acetonitrile CAS Name: 2-[4-[(1-methyl-4-piperidin-1-iumyl)amino]phenoxy]acetonitrile IUPAC Name: 2-[4-[(1-methylpiperidin-1-ium-4-yl)amino]phenoxy]acetonitrile Traditional Name: 2-[4-[(1-methylpiperidin-1-ium-4-yl)amino]phenoxy]acetonitrile Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC2=CC=C(C=C2)OCC#N

Isomeric SMILES

C[NH+]1CCC(CC1)NC2=CC=C(C=C2)OCC#N

InChI

InChI=1S/C14H19N3O/c1-17-9-6-13(7-10-17)16-12-2-4-14(5-3-12)18-11-8-15/h2-5,13,16H,6-7,9-11H2,1H3/p+1