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cycloheptyl-[[(3S)-3-oxidanyl-2-oxidanylidene-1-phenethyl-piperidin-3-yl]methyl]azanium

cycloheptyl-[[(3S)-3-oxidanyl-2-oxidanylidene-1-phenethyl-piperidin-3-yl]methyl]azanium

Systemtic Name:cycloheptyl-[[(3S)-3-oxidanyl-2-oxidanylidene-1-phenethyl-piperidin-3-yl]methyl]azanium
Openeye Name:cycloheptyl-[[(3S)-3-hydroxy-2-oxo-1-phenethyl-3-piperidyl]methyl]ammonium
CAS Name:cycloheptyl-[[(3S)-3-hydroxy-2-oxo-1-phenethyl-3-piperidinyl]methyl]ammonium
IUPAC Name:cycloheptyl-[[(3S)-3-hydroxy-2-oxo-1-phenethylpiperidin-3-yl]methyl]azanium
Traditional Name:cycloheptyl-[[(3S)-3-hydroxy-2-keto-1-phenethyl-3-piperidyl]methyl]ammonium
Formula: C21H33N2O2+
MolecularWeight: 345.49892
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH2+]CC2(CCCN(C2=O)CCC3=CC=CC=C3)O


Isomeric SMILES

C1CCCC(CC1)[NH2+]C[C@]2(CCCN(C2=O)CCC3=CC=CC=C3)O


InChI

InChI=1S/C21H32N2O2/c24-20-21(25,17-22-19-11-6-1-2-7-12-19)14-8-15-23(20)16-13-18-9-4-3-5-10-18/h3-5,9-10,19,22,25H,1-2,6-8,11-17H2/p+1/t21-/m0/s1


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