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

Systemtic Name: 2-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-1-enyl]benzenecarbonitrile Openeye Name: 2-[(E)-3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-prop-1-enyl]benzonitrile CAS Name: 2-[(E)-3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]prop-1-enyl]benzonitrile IUPAC Name: 2-[(E)-3-(4-benzylpiperazin-4-ium-1-yl)-3-oxoprop-1-enyl]benzonitrile Traditional Name: 2-[(E)-3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-prop-1-enyl]benzonitrile Formula: C21H22N3O+ MolecularWeight: 332.41888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3C#N

InChI

InChI=1S/C21H21N3O/c22-16-20-9-5-4-8-19(20)10-11-21(25)24-14-12-23(13-15-24)17-18-6-2-1-3-7-18/h1-11H,12-15,17H2/p+1/b11-10+