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

Systemtic Name: 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Openeye Name: 1-[(E)-cinnamyl]-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Traditional Name: 1-[(E)-cinnamyl]-4-(4-methoxy-2,5-dimethyl-benzyl)piperazine-1,4-diium Formula: C23H32N2O+2 MolecularWeight: 352.51298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C)OC

InChI

InChI=1S/C23H30N2O/c1-19-17-23(26-3)20(2)16-22(19)18-25-14-12-24(13-15-25)11-7-10-21-8-5-4-6-9-21/h4-10,16-17H,11-15,18H2,1-3H3/p+2/b10-7+