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

Systemtic Name: (3S)-3-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one Openeye Name: (3S)-3-hydroxy-1-[(4-isopropylphenyl)methyl]-3-(piperidin-1-ium-1-ylmethyl)piperidin-2-one CAS Name: (3S)-3-hydroxy-3-(1-piperidin-1-iumylmethyl)-1-[(4-propan-2-ylphenyl)methyl]-2-piperidinone IUPAC Name: (3S)-3-hydroxy-3-(piperidin-1-ium-1-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one Traditional Name: (3S)-3-hydroxy-1-(4-isopropylbenzyl)-3-(piperidin-1-ium-1-ylmethyl)-2-piperidone Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCCC(C2=O)(C[NH+]3CCCCC3)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCC[C@@](C2=O)(C[NH+]3CCCCC3)O

InChI

InChI=1S/C21H32N2O2/c1-17(2)19-9-7-18(8-10-19)15-23-14-6-11-21(25,20(23)24)16-22-12-4-3-5-13-22/h7-10,17,25H,3-6,11-16H2,1-2H3/p+1/t21-/m0/s1