N-(2,3-dimethylphenyl)-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[(E)-3-phenylacryloyl]piperazin-1-ium-1-yl]acetamide Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2/c1-18-7-6-10-21(19(18)2)24-22(27)17-25-13-15-26(16-14-25)23(28)12-11-20-8-4-3-5-9-20/h3-12H,13-17H2,1-2H3,(H,24,27)/p+1/b12-11+