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

Systemtic Name: 2-[4-(4-bromophenyl)carbonylpiperazin-1-ium-1-yl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(4-bromobenzoyl)piperazin-1-ium-1-yl]-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone CAS Name: 2-[4-[(4-bromophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(4-bromobenzoyl)piperazin-1-ium-1-yl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(4-bromobenzoyl)piperazin-1-ium-1-yl]-1-[(3R,5R)-3,5-dimethylpiperidino]ethanone Formula: C20H29BrN3O2+ MolecularWeight: 423.36716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28BrN3O2/c1-15-11-16(2)13-24(12-15)19(25)14-22-7-9-23(10-8-22)20(26)17-3-5-18(21)6-4-17/h3-6,15-16H,7-14H2,1-2H3/p+1/t15-,16-/m1/s1