3-oxidanylidene-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanenitrile

Systemtic Name: 3-oxidanylidene-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-oxo-propanenitrile CAS Name: 3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propanenitrile IUPAC Name: 3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-keto-propionitrile Formula: C16H20N3O+ MolecularWeight: 270.3495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O/c17-9-8-16(20)19-13-11-18(12-14-19)10-4-7-15-5-2-1-3-6-15/h1-7H,8,10-14H2/p+1/b7-4+