methyl 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanoate Openeye Name: methyl 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetate CAS Name: 2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetate Traditional Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetic acid methyl ester Formula: C16H24N2O2+2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+]1CC[NH+](CC1)CC=CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C[NH+]1CC[NH+](CC1)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C16H22N2O2/c1-20-16(19)14-18-12-10-17(11-13-18)9-5-8-15-6-3-2-4-7-15/h2-8H,9-14H2,1H3/p+2/b8-5+