[(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-(pyrimidin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-(pyrimidin-4-ylmethyl)azanium Openeye Name: [(3S)-3-hydroxy-1-(m-tolylmethyl)-2-oxo-3-piperidyl]methyl-(pyrimidin-4-ylmethyl)ammonium CAS Name: [(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxo-3-piperidinyl]methyl-(4-pyrimidinylmethyl)ammonium IUPAC Name: [(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methyl-(pyrimidin-4-ylmethyl)azanium Traditional Name: [(3S)-3-hydroxy-2-keto-1-(3-methylbenzyl)-3-piperidyl]methyl-(4-pyrimidylmethyl)ammonium Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(C[NH2+]CC3=NC=NC=C3)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@@](C2=O)(C[NH2+]CC3=NC=NC=C3)O

InChI

InChI=1S/C19H24N4O2/c1-15-4-2-5-16(10-15)12-23-9-3-7-19(25,18(23)24)13-21-11-17-6-8-20-14-22-17/h2,4-6,8,10,14,21,25H,3,7,9,11-13H2,1H3/p+1/t19-/m0/s1