1-[(2,5-dimethylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Openeye Name: 1-[(E)-cinnamyl]-4-[(2,5-dimethylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2,5-dimethylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Traditional Name: 1-[(E)-cinnamyl]-4-(2,5-dimethylbenzyl)piperazine-1,4-diium Formula: C22H30N2+2 MolecularWeight: 322.487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H28N2/c1-19-10-11-20(2)22(17-19)18-24-15-13-23(14-16-24)12-6-9-21-7-4-3-5-8-21/h3-11,17H,12-16,18H2,1-2H3/p+2/b9-6+