[(3S)-1-methyl-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: [(3S)-1-methyl-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzylpyrazol-4-yl)methyl-[[(3S)-3-hydroxy-1-methyl-2-oxo-3-piperidyl]methyl]ammonium CAS Name: [(3S)-3-hydroxy-1-methyl-2-oxo-3-piperidinyl]methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzylpyrazol-4-yl)methyl-[[(3S)-3-hydroxy-1-methyl-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: (1-benzylpyrazol-4-yl)methyl-[[(3S)-3-hydroxy-2-keto-1-methyl-3-piperidyl]methyl]ammonium Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1=O)(C[NH2+]CC2=CN(N=C2)CC3=CC=CC=C3)O

Isomeric SMILES

CN1CCC[C@@](C1=O)(C[NH2+]CC2=CN(N=C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C18H24N4O2/c1-21-9-5-8-18(24,17(21)23)14-19-10-16-11-20-22(13-16)12-15-6-3-2-4-7-15/h2-4,6-7,11,13,19,24H,5,8-10,12,14H2,1H3/p+1/t18-/m0/s1