N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methyl-2-thienyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methyl-2-thiophenyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[(E)-3-(3-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:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=C(C=CS3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=C(C=CS3)C

InChI

InChI=1S/C22H27N3O2S/c1-3-18-6-4-5-7-19(18)23-21(26)16-24-11-13-25(14-12-24)22(27)9-8-20-17(2)10-15-28-20/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,26)/p+1/b9-8+