N-(2,6-dimethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C23H31N3O+2 MolecularWeight: 365.51174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O/c1-19-8-6-9-20(2)23(19)24-22(27)18-26-16-14-25(15-17-26)13-7-12-21-10-4-3-5-11-21/h3-12H,13-18H2,1-2H3,(H,24,27)/p+2/b12-7+