[(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-[(3-methylpyridin-2-yl)methyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(C[NH2+]CC3=C(C=CC=N3)C)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@@](C2=O)(C[NH2+]CC3=C(C=CC=N3)C)O

InChI

InChI=1S/C21H27N3O2/c1-16-6-3-8-18(12-16)14-24-11-5-9-21(26,20(24)25)15-22-13-19-17(2)7-4-10-23-19/h3-4,6-8,10,12,22,26H,5,9,11,13-15H2,1-2H3/p+1/t21-/m0/s1