2-[4-(5-bromanylfuran-3-yl)carbonylpiperazin-1-ium-1-yl]-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(5-bromanylfuran-3-yl)carbonylpiperazin-1-ium-1-yl]-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(5-bromofuran-3-carbonyl)piperazin-1-ium-1-yl]-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethanone CAS Name: 2-[4-[(5-bromo-3-furanyl)-oxomethyl]-1-piperazin-1-iumyl]-1-[(3S,5S)-3,5-dimethyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(5-bromofuran-3-carbonyl)piperazin-1-ium-1-yl]-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(5-bromo-3-furoyl)piperazin-1-ium-1-yl]-1-[(3S,5S)-3,5-dimethylpiperidino]ethanone Formula: C18H27BrN3O3+ MolecularWeight: 413.32928

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=COC(=C3)Br)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=COC(=C3)Br)C

InChI

InChI=1S/C18H26BrN3O3/c1-13-7-14(2)10-22(9-13)17(23)11-20-3-5-21(6-4-20)18(24)15-8-16(19)25-12-15/h8,12-14H,3-7,9-11H2,1-2H3/p+1/t13-,14-/m0/s1