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

Systemtic Name: methyl-[[(3R)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[(3R)-3-hydroxy-1-(m-tolylmethyl)-2-oxo-3-piperidyl]methyl]-methyl-ammonium CAS Name: [(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxo-3-piperidinyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methyl]-methylazanium Traditional Name: benzyl-[[(3R)-3-hydroxy-2-keto-1-(3-methylbenzyl)-3-piperidyl]methyl]-methyl-ammonium Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(C[NH+](C)CC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@](C2=O)(C[NH+](C)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H28N2O2/c1-18-8-6-11-20(14-18)16-24-13-7-12-22(26,21(24)25)17-23(2)15-19-9-4-3-5-10-19/h3-6,8-11,14,26H,7,12-13,15-17H2,1-2H3/p+1/t22-/m1/s1