[(3R)-1-[(2,2-dimethyl-4-oxidanylidene-3H-pyran-6-yl)carbonyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3R)-1-[(2,2-dimethyl-4-oxidanylidene-3H-pyran-6-yl)carbonyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R)-1-[(2,2-dimethyl-4-oxo-3H-pyran-6-yl)-oxomethyl]-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R)-1-(4-keto-2,2-dimethyl-3H-pyran-6-carbonyl)-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C=C(O1)C(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=N3)C

Isomeric SMILES

CC1(CC(=O)C=C(O1)C(=O)N2CCC[C@H](C2)[NH+](C)CCC3=CC=CC=N3)C

InChI

InChI=1S/C21H29N3O3/c1-21(2)14-18(25)13-19(27-21)20(26)24-11-6-8-17(15-24)23(3)12-9-16-7-4-5-10-22-16/h4-5,7,10,13,17H,6,8-9,11-12,14-15H2,1-3H3/p+1/t17-/m1/s1