1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-[[1-(phenylmethyl)pyrazol-4-yl]methyl]piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-[[1-(phenylmethyl)pyrazol-4-yl]methyl]piperazine-1,4-diium-1-yl]ethanone Openeye Name: 2-[4-[(1-benzylpyrazol-4-yl)methyl]piperazine-1,4-diium-1-yl]-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-[4-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 2-[4-[(1-benzylpyrazol-4-yl)methyl]piperazine-1,4-diium-1-yl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone Traditional Name: 2-[4-[(1-benzylpyrazol-4-yl)methyl]piperazine-1,4-diium-1-yl]-1-[(3R,5R)-3,5-dimethylpiperidino]ethanone Formula: C24H37N5O+2 MolecularWeight: 411.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CN(N=C3)CC4=CC=CC=C4)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CN(N=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H35N5O/c1-20-12-21(2)15-28(14-20)24(30)19-27-10-8-26(9-11-27)16-23-13-25-29(18-23)17-22-6-4-3-5-7-22/h3-7,13,18,20-21H,8-12,14-17,19H2,1-2H3/p+2/t20-,21-/m1/s1