[(3R)-1-(2,4-dimethyl-6-oxidanylidene-pyran-3-yl)carbonylpiperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3R)-1-(2,4-dimethyl-6-oxidanylidene-pyran-3-yl)carbonylpiperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3R)-1-(2,4-dimethyl-6-oxo-pyran-3-carbonyl)-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3R)-1-[(2,4-dimethyl-6-oxo-3-pyranyl)-oxomethyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3R)-1-(2,4-dimethyl-6-oxopyran-3-carbonyl)piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3R)-1-(6-keto-2,4-dimethyl-pyran-3-carbonyl)-3-piperidyl]-methyl-phenethyl-ammonium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC(=C1C(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=O)OC(=C1C(=O)N2CCC[C@H](C2)[NH+](C)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N2O3/c1-16-14-20(25)27-17(2)21(16)22(26)24-12-7-10-19(15-24)23(3)13-11-18-8-5-4-6-9-18/h4-6,8-9,14,19H,7,10-13,15H2,1-3H3/p+1/t19-/m1/s1