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

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Openeye Name: 1-[(E)-cinnamyl]-4-(m-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Traditional Name: 1-[(E)-cinnamyl]-4-(3-methylbenzyl)piperazine-1,4-diium Formula: C21H28N2+2 MolecularWeight: 308.46042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2/c1-19-7-5-10-21(17-19)18-23-15-13-22(14-16-23)12-6-11-20-8-3-2-4-9-20/h2-11,17H,12-16,18H2,1H3/p+2/b11-6+