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

Systemtic Name: 2-[4-[(E)-3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(4-ethylpiperazin-4-ium-1-yl)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(4-ethyl-1-piperazin-4-iumyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(4-ethylpiperazin-4-ium-1-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(4-ethylpiperazin-4-ium-1-yl)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c1-3-20-9-11-21(12-10-20)18(22)7-5-15-4-6-16(24-13-8-19)17(14-15)23-2/h4-7,14H,3,9-13H2,1-2H3/p+1/b7-5+