(4-bromanyl-5-ethyl-thiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-bromanyl-5-ethyl-thiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-allylpiperazin-4-ium-1-yl)-(4-bromo-5-ethyl-2-thienyl)methanone CAS Name: (4-bromo-5-ethyl-2-thiophenyl)-(4-prop-2-enyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-bromo-5-ethylthiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-allylpiperazin-4-ium-1-yl)-(4-bromo-5-ethyl-2-thienyl)methanone Formula: C14H20BrN2OS+ MolecularWeight: 344.2904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)N2CC[NH+](CC2)CC=C)Br

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)N2CC[NH+](CC2)CC=C)Br

InChI

InChI=1S/C14H19BrN2OS/c1-3-5-16-6-8-17(9-7-16)14(18)13-10-11(15)12(4-2)19-13/h3,10H,1,4-9H2,2H3/p+1