(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2R)-1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one CAS Name: (2R)-1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2R)-1-[(2R,6R)-2,6-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:

CC1CCCC(N1C(=O)C(C)[NH+]2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)[C@@H](C)[NH+]2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C18H29N5O/c1-14-6-4-7-15(2)23(14)17(24)16(3)21-10-12-22(13-11-21)18-19-8-5-9-20-18/h5,8-9,14-16H,4,6-7,10-13H2,1-3H3/p+1/t14-,15-,16-/m1/s1