2-[4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]acetonitrile CAS Name: 2-[4-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]acetonitrile Formula: C14H19N4O+ MolecularWeight: 259.32686

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CC=C(C=C2)OCC#N

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CC=C(C=C2)OCC#N

InChI

InChI=1S/C14H18N4O/c1-17-7-9-18(10-8-17)16-12-13-2-4-14(5-3-13)19-11-6-15/h2-5,12H,7-11H2,1H3/p+1/b16-12-