methyl-[[(3R)-1-methyl-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]-[(4-phenoxyphenyl)methyl]azanium

Systemtic Name: methyl-[[(3R)-1-methyl-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]-[(4-phenoxyphenyl)methyl]azanium Openeye Name: [(3R)-3-hydroxy-1-methyl-2-oxo-3-piperidyl]methyl-methyl-[(4-phenoxyphenyl)methyl]ammonium CAS Name: [(3R)-3-hydroxy-1-methyl-2-oxo-3-piperidinyl]methyl-methyl-[(4-phenoxyphenyl)methyl]ammonium IUPAC Name: [(3R)-3-hydroxy-1-methyl-2-oxopiperidin-3-yl]methyl-methyl-[(4-phenoxyphenyl)methyl]azanium Traditional Name: [(3R)-3-hydroxy-2-keto-1-methyl-3-piperidyl]methyl-methyl-(4-phenoxybenzyl)ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1=O)(C[NH+](C)CC2=CC=C(C=C2)OC3=CC=CC=C3)O

Isomeric SMILES

CN1CCC[C@](C1=O)(C[NH+](C)CC2=CC=C(C=C2)OC3=CC=CC=C3)O

InChI

InChI=1S/C21H26N2O3/c1-22(16-21(25)13-6-14-23(2)20(21)24)15-17-9-11-19(12-10-17)26-18-7-4-3-5-8-18/h3-5,7-12,25H,6,13-16H2,1-2H3/p+1/t21-/m1/s1