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

Systemtic Name: 2-[4-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]phenoxy]ethanenitrile Openeye Name: 2-[4-[(1-isopropylpiperidin-1-ium-4-yl)amino]phenoxy]acetonitrile CAS Name: 2-[4-[(1-propan-2-yl-4-piperidin-1-iumyl)amino]phenoxy]acetonitrile IUPAC Name: 2-[4-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]phenoxy]acetonitrile Traditional Name: 2-[4-[(1-isopropylpiperidin-1-ium-4-yl)amino]phenoxy]acetonitrile Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O/c1-13(2)19-10-7-15(8-11-19)18-14-3-5-16(6-4-14)20-12-9-17/h3-6,13,15,18H,7-8,10-12H2,1-2H3/p+1