methyl-(oxan-4-yl)-[[(3S)-3-oxidanyl-2-oxidanylidene-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]azanium

Systemtic Name: methyl-(oxan-4-yl)-[[(3S)-3-oxidanyl-2-oxidanylidene-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]azanium Openeye Name: [(3S)-3-hydroxy-1-[(4-isopropylphenyl)methyl]-2-oxo-3-piperidyl]methyl-methyl-tetrahydropyran-4-yl-ammonium CAS Name: [(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]-3-piperidinyl]methyl-methyl-(4-oxanyl)ammonium IUPAC Name: [(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl-methyl-(oxan-4-yl)azanium Traditional Name: [(3S)-3-hydroxy-1-(4-isopropylbenzyl)-2-keto-3-piperidyl]methyl-methyl-tetrahydropyran-4-yl-ammonium Formula: C22H35N2O3+ MolecularWeight: 375.5249

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCCC(C2=O)(C[NH+](C)C3CCOCC3)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCC[C@@](C2=O)(C[NH+](C)C3CCOCC3)O

InChI

InChI=1S/C22H34N2O3/c1-17(2)19-7-5-18(6-8-19)15-24-12-4-11-22(26,21(24)25)16-23(3)20-9-13-27-14-10-20/h5-8,17,20,26H,4,9-16H2,1-3H3/p+1/t22-/m0/s1