2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C19H23BrN3O3S2+ MolecularWeight: 485.43822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C19H22BrN3O3S2/c20-17-7-8-19(27-17)28(25,26)22-12-10-21(11-13-22)14-18(24)23-9-3-5-15-4-1-2-6-16(15)23/h1-2,4,6-8H,3,5,9-14H2/p+1