(2S)-1,5,5-trimethyl-2-(3,4,5-trimethoxyphenyl)piperidin-1-ium-4-one

Systemtic Name: (2S)-1,5,5-trimethyl-2-(3,4,5-trimethoxyphenyl)piperidin-1-ium-4-one Openeye Name: (2S)-1,5,5-trimethyl-2-(3,4,5-trimethoxyphenyl)piperidin-1-ium-4-one CAS Name: (2S)-1,5,5-trimethyl-2-(3,4,5-trimethoxyphenyl)-4-piperidin-1-iumone IUPAC Name: (2S)-1,5,5-trimethyl-2-(3,4,5-trimethoxyphenyl)piperidin-1-ium-4-one Traditional Name: (2S)-1,5,5-trimethyl-2-(3,4,5-trimethoxyphenyl)piperidin-1-ium-4-one Formula: C17H26NO4+ MolecularWeight: 308.39264

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[NH+](C(CC1=O)C2=CC(=C(C(=C2)OC)OC)OC)C)C

Isomeric SMILES

CC1(C[NH+]([C@@H](CC1=O)C2=CC(=C(C(=C2)OC)OC)OC)C)C

InChI

InChI=1S/C17H25NO4/c1-17(2)10-18(3)12(9-15(17)19)11-7-13(20-4)16(22-6)14(8-11)21-5/h7-8,12H,9-10H2,1-6H3/p+1/t12-/m0/s1