[(3S)-1-(cyclobutylmethyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]azanium

Systemtic Name: [(3S)-1-(cyclobutylmethyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]azanium Openeye Name: [(3S)-1-(cyclobutylmethyl)-3-hydroxy-2-oxo-3-piperidyl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]ammonium CAS Name: [(3S)-1-(cyclobutylmethyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]ammonium IUPAC Name: [(3S)-1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]azanium Traditional Name: [(3S)-1-(cyclobutylmethyl)-3-hydroxy-2-keto-3-piperidyl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]ammonium Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CN2CCCC(C2=O)(C[NH2+]CC3=C(NN=C3)C4=CC=CC=C4)O

Isomeric SMILES

C1CC(C1)CN2CCC[C@@](C2=O)(C[NH2+]CC3=C(NN=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C21H28N4O2/c26-20-21(27,10-5-11-25(20)14-16-6-4-7-16)15-22-12-18-13-23-24-19(18)17-8-2-1-3-9-17/h1-3,8-9,13,16,22,27H,4-7,10-12,14-15H2,(H,23,24)/p+1/t21-/m0/s1