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

Systemtic Name: (4-bromanyl-5-ethyl-thiophen-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-bromo-5-ethyl-2-thienyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (4-bromo-5-ethyl-2-thiophenyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-bromo-5-ethylthiophen-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-bromo-5-ethyl-2-thienyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C12H18BrN2OS+ MolecularWeight: 318.25312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2OS/c1-3-10-9(13)8-11(17-10)12(16)15-6-4-14(2)5-7-15/h8H,3-7H2,1-2H3/p+1