2-[[(3R)-3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2-[[(3R)-3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[(3R)-3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[(3R)-3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-1-piperidin-1-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[(3R)-3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[(3R)-3-m-anisyl-3-methylol-piperidin-1-ium-1-yl]methyl]-4-quinolone Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(CCC[NH+](C2)CC3=CC(=O)C4=CC=CC=C4N3)CO

Isomeric SMILES

COC1=CC=CC(=C1)C[C@@]2(CCC[NH+](C2)CC3=CC(=O)C4=CC=CC=C4N3)CO

InChI

InChI=1S/C24H28N2O3/c1-29-20-7-4-6-18(12-20)14-24(17-27)10-5-11-26(16-24)15-19-13-23(28)21-8-2-3-9-22(21)25-19/h2-4,6-9,12-13,27H,5,10-11,14-17H2,1H3,(H,25,28)/p+1/t24-/m1/s1