N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-cyclopropyl-N-p-anisyl-acetamide Formula: C26H34N3O2+ MolecularWeight: 420.56706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CC2)C(=O)C[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2CC2)C(=O)C[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O2/c1-31-25-13-9-23(10-14-25)20-29(24-11-12-24)26(30)21-28-18-16-27(17-19-28)15-5-8-22-6-3-2-4-7-22/h2-10,13-14,24H,11-12,15-21H2,1H3/p+1/b8-5+