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

Systemtic Name: [(3S)-1-(cyclopropylmethyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-[(3-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-oxo-3-piperidyl]methyl-[(3-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl-[[3-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-[(3-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-keto-3-piperidyl]methyl-(3-pyrazol-1-ylbenzyl)ammonium Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CC2CC2)(C[NH2+]CC3=CC(=CC=C3)N4C=CC=N4)O

Isomeric SMILES

C1C[C@@](C(=O)N(C1)CC2CC2)(C[NH2+]CC3=CC(=CC=C3)N4C=CC=N4)O

InChI

InChI=1S/C20H26N4O2/c25-19-20(26,8-2-10-23(19)14-16-6-7-16)15-21-13-17-4-1-5-18(12-17)24-11-3-9-22-24/h1,3-5,9,11-12,16,21,26H,2,6-8,10,13-15H2/p+1/t20-/m0/s1