[2-[4-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-dimethyl-azanium

Systemtic Name: [2-[4-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: [2-[4-[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]piperazin-1-yl]-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [2-[4-[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]-2-oxoethyl]-dimethylammonium IUPAC Name: [2-[4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]piperazin-1-yl]-2-oxoethyl]-dimethylazanium Traditional Name: [2-[4-[(E)-3-(5-bromo-2-thienyl)acryloyl]piperazino]-2-keto-ethyl]-dimethyl-ammonium Formula: C15H21BrN3O2S+ MolecularWeight: 387.31514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(=O)N1CCN(CC1)C(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

C[NH+](C)CC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC=C(S2)Br

InChI

InChI=1S/C15H20BrN3O2S/c1-17(2)11-15(21)19-9-7-18(8-10-19)14(20)6-4-12-3-5-13(16)22-12/h3-6H,7-11H2,1-2H3/p+1/b6-4+