(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2R)-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one CAS Name: (2R)-1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2R)-1-[(3R,5R)-3,5-dimethylpiperidino]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propan-1-one Formula: C18H30N5O+ MolecularWeight: 332.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)[NH+]2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)[C@@H](C)[NH+]2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C18H29N5O/c1-14-11-15(2)13-23(12-14)17(24)16(3)21-7-9-22(10-8-21)18-19-5-4-6-20-18/h4-6,14-16H,7-13H2,1-3H3/p+1/t14-,15-,16-/m1/s1