N-(3-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(3-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide Openeye Name: 3-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-(3-methoxyphenyl)propanamide CAS Name: N-(3-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: N-(3-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide Traditional Name: 3-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-(3-methoxyphenyl)propionamide Formula: C23H31N3O2+2 MolecularWeight: 381.51114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CC[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-28-22-11-5-10-21(19-22)24-23(27)12-14-26-17-15-25(16-18-26)13-6-9-20-7-3-2-4-8-20/h2-11,19H,12-18H2,1H3,(H,24,27)/p+2/b9-6+