methyl-[[(3R)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: methyl-[[(3R)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]-(pyridin-2-ylmethyl)azanium Openeye Name: [(3R)-3-hydroxy-1-(m-tolylmethyl)-2-oxo-3-piperidyl]methyl-methyl-(2-pyridylmethyl)ammonium CAS Name: [(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxo-3-piperidinyl]methyl-methyl-(2-pyridinylmethyl)ammonium IUPAC Name: [(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methyl-methyl-(pyridin-2-ylmethyl)azanium Traditional Name: [(3R)-3-hydroxy-2-keto-1-(3-methylbenzyl)-3-piperidyl]methyl-methyl-(2-pyridylmethyl)ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(C[NH+](C)CC3=CC=CC=N3)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@](C2=O)(C[NH+](C)CC3=CC=CC=N3)O

InChI

InChI=1S/C21H27N3O2/c1-17-7-5-8-18(13-17)14-24-12-6-10-21(26,20(24)25)16-23(2)15-19-9-3-4-11-22-19/h3-5,7-9,11,13,26H,6,10,12,14-16H2,1-2H3/p+1/t21-/m1/s1