4-[(E)-3-oxidanylidene-3-(4-phenethylpiperazin-4-ium-1-yl)prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-oxidanylidene-3-(4-phenethylpiperazin-4-ium-1-yl)prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-oxo-3-(4-phenethylpiperazin-4-ium-1-yl)prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-oxo-3-(4-phenethyl-1-piperazin-4-iumyl)prop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-oxo-3-(4-phenethylpiperazin-4-ium-1-yl)prop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-keto-3-(4-phenethylpiperazin-4-ium-1-yl)prop-1-enyl]benzonitrile Formula: C22H24N3O+ MolecularWeight: 346.44546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23N3O/c23-18-21-8-6-20(7-9-21)10-11-22(26)25-16-14-24(15-17-25)13-12-19-4-2-1-3-5-19/h1-11H,12-17H2/p+1/b11-10+