(3S)-3-oxidanyl-3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one

Systemtic Name: (3S)-3-oxidanyl-3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one Openeye Name: (3S)-3-hydroxy-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1-[(4-isopropylphenyl)methyl]piperidin-2-one CAS Name: (3S)-3-hydroxy-3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-1-[(4-propan-2-ylphenyl)methyl]-2-piperidinone IUPAC Name: (3S)-3-hydroxy-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one Traditional Name: (3S)-3-hydroxy-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1-(4-isopropylbenzyl)-2-piperidone Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCCC(C2=O)(C[NH+]3CCC(CC3)O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCC[C@@](C2=O)(C[NH+]3CCC(CC3)O)O

InChI

InChI=1S/C21H32N2O3/c1-16(2)18-6-4-17(5-7-18)14-23-11-3-10-21(26,20(23)25)15-22-12-8-19(24)9-13-22/h4-7,16,19,24,26H,3,8-15H2,1-2H3/p+1/t21-/m0/s1