N-(2,6-dimethylphenyl)-2-[4-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-3-(5-methyl-2-thienyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-3-(5-methyl-2-thiophenyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-3-(5-methyl-2-thienyl)acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=C(S3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=C(S3)C

InChI

InChI=1S/C22H27N3O2S/c1-16-5-4-6-17(2)22(16)23-20(26)15-24-11-13-25(14-12-24)21(27)10-9-19-8-7-18(3)28-19/h4-10H,11-15H2,1-3H3,(H,23,26)/p+1/b10-9+