5-(hydroxymethyl)-4-[[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]methylidene]-2-methyl-pyridin-3-one

Systemtic Name: 5-(hydroxymethyl)-4-[[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]methylidene]-2-methyl-pyridin-3-one Openeye Name: 5-(hydroxymethyl)-4-[[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]methylene]-2-methyl-pyridin-3-one CAS Name: 5-(hydroxymethyl)-4-[[[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]amino]methylidene]-2-methyl-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-4-[[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]amino]methylidene]-2-methylpyridin-3-one Traditional Name: 4-[[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]methylene]-2-methyl-5-methylol-pyridin-3-one Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3)C1=O)CO

InChI

InChI=1S/C22H29N3O3/c1-16-22(27)20(18(15-26)12-24-16)13-23-14-21(25-10-4-3-5-11-25)17-6-8-19(28-2)9-7-17/h6-9,12-13,21,23,26H,3-5,10-11,14-15H2,1-2H3/p+1/t21-/m1/s1