(3S)-1-(2,2-dimethylpropyl)-3-oxidanyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]piperidin-2-one

Systemtic Name: (3S)-1-(2,2-dimethylpropyl)-3-oxidanyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]piperidin-2-one Openeye Name: (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]piperidin-2-one CAS Name: (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-piperidinone IUPAC Name: (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]piperidin-2-one Traditional Name: (3S)-3-hydroxy-1-neopentyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2-piperidone Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCCC(C1=O)(C[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)CN1CCC[C@@](C1=O)(C[NH+]2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H33N3O2/c1-20(2,3)16-24-11-7-10-21(26,19(24)25)17-22-12-14-23(15-13-22)18-8-5-4-6-9-18/h4-6,8-9,26H,7,10-17H2,1-3H3/p+1/t21-/m0/s1