methyl (2S)-2-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl (2S)-2-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2S)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-2-phenyl-acetate CAS Name: (2S)-2-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-2-phenyl-acetic acid methyl ester Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)[NH+]2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2/c1-26-22(25)21(20-12-6-3-7-13-20)24-17-15-23(16-18-24)14-8-11-19-9-4-2-5-10-19/h2-13,21H,14-18H2,1H3/p+1/b11-8+/t21-/m0/s1