(3S)-1-(cyclobutylmethyl)-3-oxidanyl-3-[(4-oxidanyl-4-pyridin-2-yl-piperidin-1-ium-1-yl)methyl]piperidin-2-one

Systemtic Name: (3S)-1-(cyclobutylmethyl)-3-oxidanyl-3-[(4-oxidanyl-4-pyridin-2-yl-piperidin-1-ium-1-yl)methyl]piperidin-2-one Openeye Name: (3S)-1-(cyclobutylmethyl)-3-hydroxy-3-[[4-hydroxy-4-(2-pyridyl)piperidin-1-ium-1-yl]methyl]piperidin-2-one CAS Name: (3S)-1-(cyclobutylmethyl)-3-hydroxy-3-[[4-hydroxy-4-(2-pyridinyl)-1-piperidin-1-iumyl]methyl]-2-piperidinone IUPAC Name: (3S)-1-(cyclobutylmethyl)-3-hydroxy-3-[(4-hydroxy-4-pyridin-2-ylpiperidin-1-ium-1-yl)methyl]piperidin-2-one Traditional Name: (3S)-1-(cyclobutylmethyl)-3-hydroxy-3-[[4-hydroxy-4-(2-pyridyl)piperidin-1-ium-1-yl]methyl]-2-piperidone Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CN2CCCC(C2=O)(C[NH+]3CCC(CC3)(C4=CC=CC=N4)O)O

Isomeric SMILES

C1CC(C1)CN2CCC[C@@](C2=O)(C[NH+]3CCC(CC3)(C4=CC=CC=N4)O)O

InChI

InChI=1S/C21H31N3O3/c25-19-21(27,8-4-12-24(19)15-17-5-3-6-17)16-23-13-9-20(26,10-14-23)18-7-1-2-11-22-18/h1-2,7,11,17,26-27H,3-6,8-10,12-16H2/p+1/t21-/m0/s1