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

Systemtic Name: methyl-[[(3R)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]-(2-methylprop-2-enyl)azanium Openeye Name: [(3R)-3-hydroxy-1-(m-tolylmethyl)-2-oxo-3-piperidyl]methyl-methyl-(2-methylallyl)ammonium CAS Name: [(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxo-3-piperidinyl]methyl-methyl-(2-methylprop-2-enyl)ammonium IUPAC Name: [(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methyl-methyl-(2-methylprop-2-enyl)azanium Traditional Name: [(3R)-3-hydroxy-2-keto-1-(3-methylbenzyl)-3-piperidyl]methyl-methyl-(2-methylallyl)ammonium Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O2/c1-15(2)12-20(4)14-19(23)9-6-10-21(18(19)22)13-17-8-5-7-16(3)11-17/h5,7-8,11,23H,1,6,9-10,12-14H2,2-4H3/p+1/t19-/m1/s1