2-[4-[(E)-but-2-enoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[(E)-but-2-enoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(E)-but-2-enoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-1-oxobut-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[(E)-but-2-enoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[(E)-but-2-enoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

C/C=C/C(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C18H25N3O2/c1-4-6-17(23)21-11-9-20(10-12-21)13-16(22)19-18-14(2)7-5-8-15(18)3/h4-8H,9-13H2,1-3H3,(H,19,22)/p+1/b6-4+