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

Systemtic Name: [(3S)-1-(cyclopropylmethyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-[(4-phenyloxan-4-yl)methyl]azanium Openeye Name: [(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-oxo-3-piperidyl]methyl-[(4-phenyltetrahydropyran-4-yl)methyl]ammonium CAS Name: [(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl-[(4-phenyl-4-oxanyl)methyl]ammonium IUPAC Name: [(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-[(4-phenyloxan-4-yl)methyl]azanium Traditional Name: [(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-keto-3-piperidyl]methyl-[(4-phenyltetrahydropyran-4-yl)methyl]ammonium Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CC2CC2)(C[NH2+]CC3(CCOCC3)C4=CC=CC=C4)O

Isomeric SMILES

C1C[C@@](C(=O)N(C1)CC2CC2)(C[NH2+]CC3(CCOCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C22H32N2O3/c25-20-22(26,9-4-12-24(20)15-18-7-8-18)17-23-16-21(10-13-27-14-11-21)19-5-2-1-3-6-19/h1-3,5-6,18,23,26H,4,7-17H2/p+1/t22-/m0/s1