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

Systemtic Name: (E)-3-(5-bromanylthiophen-2-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-thienyl)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-thiophenyl)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromothiophen-2-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-thienyl)-1-[4-(3-thenyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C16H18BrN2OS2+ MolecularWeight: 398.36092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C=CC3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)/C=C/C3=CC=C(S3)Br

InChI

InChI=1S/C16H17BrN2OS2/c17-15-3-1-14(22-15)2-4-16(20)19-8-6-18(7-9-19)11-13-5-10-21-12-13/h1-5,10,12H,6-9,11H2/p+1/b4-2+