2-[2-methoxy-4-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methoxy-4-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-(4-methyl-1-piperazin-4-iumyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-(4-methylpiperazin-4-ium-1-yl)prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-19-8-10-20(11-9-19)17(21)6-4-14-3-5-15(23-12-7-18)16(13-14)22-2/h3-6,13H,8-12H2,1-2H3/p+1/b6-4+