4-[(E)-3-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-keto-3-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]prop-1-enyl]benzonitrile Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H25N3O3/c1-28-21-7-9-22(10-8-21)29-17-16-25-12-14-26(15-13-25)23(27)11-6-19-2-4-20(18-24)5-3-19/h2-11H,12-17H2,1H3/p+1/b11-6+