2-[[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2-[[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[[(2S)-2-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-[[(2S)-2-methylolpiperidin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one Formula: C19H25N2O3+ MolecularWeight: 329.4134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH+]3CCCCC3CO)N1

Isomeric SMILES

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH+]3CCCC[C@H]3CO)N1

InChI

InChI=1S/C19H24N2O3/c1-24-19-7-4-6-17(20-19)14-8-9-18(23)15(11-14)12-21-10-3-2-5-16(21)13-22/h4,6-9,11,16,20,22H,2-3,5,10,12-13H2,1H3/p+1/t16-/m0/s1