4,6-dimethyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4,6-dimethyl-nicotinonitrile Formula: C21H25N4+ MolecularWeight: 333.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C21H24N4/c1-17-15-18(2)23-21(20(17)16-22)25-13-11-24(12-14-25)10-6-9-19-7-4-3-5-8-19/h3-9,15H,10-14H2,1-2H3/p+1/b9-6+