2-[4-(5-bromanylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(5-bromothiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[4-[(5-bromo-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(5-bromothiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(5-bromothiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidino]ethanone Formula: C17H25BrN3O2S+ MolecularWeight: 415.3683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H24BrN3O2S/c1-13-4-2-3-7-21(13)16(22)12-19-8-10-20(11-9-19)17(23)14-5-6-15(18)24-14/h5-6,13H,2-4,7-12H2,1H3/p+1/t13-/m0/s1