N-(2,6-dimethylphenyl)-2-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-3-(2-thienyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-3-(2-thienyl)acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H25N3O2S/c1-16-5-3-6-17(2)21(16)22-19(25)15-23-10-12-24(13-11-23)20(26)9-8-18-7-4-14-27-18/h3-9,14H,10-13,15H2,1-2H3,(H,22,25)/p+1/b9-8+