[(3S)-1-[(2,2-dimethyl-4-oxidanylidene-3H-pyran-6-yl)carbonyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3=CC(=O)CC(O3)(C)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C3=CC(=O)CC(O3)(C)C

InChI

InChI=1S/C21H29N3O3/c1-4-23(14-16-7-9-22-10-8-16)17-6-5-11-24(15-17)20(26)19-12-18(25)13-21(2,3)27-19/h7-10,12,17H,4-6,11,13-15H2,1-3H3/p+1/t17-/m0/s1