1-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]ethanone Openeye Name: 1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]ethanone CAS Name: 1-(6-ethoxy-2,2,4-trimethyl-1-quinolinyl)-2-[(3S)-3-(hydroxymethyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]ethanone Traditional Name: 1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-[(3S)-3-methylolpiperidin-1-ium-1-yl]ethanone Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)C[NH+]3CCCC(C3)CO

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)C[NH+]3CCC[C@@H](C3)CO

InChI

InChI=1S/C22H32N2O3/c1-5-27-18-8-9-20-19(11-18)16(2)12-22(3,4)24(20)21(26)14-23-10-6-7-17(13-23)15-25/h8-9,11-12,17,25H,5-7,10,13-15H2,1-4H3/p+1/t17-/m0/s1