N-cyclopropyl-2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[(E)-3-(2-ethylbenzofuran-3-yl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(E)-3-(2-ethyl-3-benzofuranyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[(E)-3-(2-ethylbenzofuran-3-yl)acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C=CC(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)/C=C/C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C22H27N3O3/c1-2-19-18(17-5-3-4-6-20(17)28-19)9-10-22(27)25-13-11-24(12-14-25)15-21(26)23-16-7-8-16/h3-6,9-10,16H,2,7-8,11-15H2,1H3,(H,23,26)/p+1/b10-9+