(E)-1-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-(furan-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-(furan-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-(2-furyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-(2-furanyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-(furan-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-(2-furyl)prop-2-en-1-one Formula: C16H18BrN2O2S+ MolecularWeight: 382.29532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C=CC3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C16H17BrN2O2S/c17-15-5-4-14(22-15)12-18-7-9-19(10-8-18)16(20)6-3-13-2-1-11-21-13/h1-6,11H,7-10,12H2/p+1/b6-3+