cyclopentyl-[[(3S)-3-oxidanyl-2-oxidanylidene-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]azanium

Systemtic Name: cyclopentyl-[[(3S)-3-oxidanyl-2-oxidanylidene-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]azanium Openeye Name: cyclopentyl-[[(3S)-3-hydroxy-1-[(4-isopropylphenyl)methyl]-2-oxo-3-piperidyl]methyl]ammonium CAS Name: cyclopentyl-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]-3-piperidinyl]methyl]ammonium IUPAC Name: cyclopentyl-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]azanium Traditional Name: cyclopentyl-[[(3S)-3-hydroxy-1-(4-isopropylbenzyl)-2-keto-3-piperidyl]methyl]ammonium 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[NH2+]C3CCCC3)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCC[C@@](C2=O)(C[NH2+]C3CCCC3)O

InChI

InChI=1S/C21H32N2O2/c1-16(2)18-10-8-17(9-11-18)14-23-13-5-12-21(25,20(23)24)15-22-19-6-3-4-7-19/h8-11,16,19,22,25H,3-7,12-15H2,1-2H3/p+1/t21-/m0/s1