6-(hydroxymethyl)-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-oxidanyl-pyran-4-one

Systemtic Name: 6-(hydroxymethyl)-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-oxidanyl-pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Traditional Name: 3-hydroxy-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-methylol-pyran-4-one Formula: C18H23N2O5+ MolecularWeight: 347.38562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(C(=O)C=C(O3)CO)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(C(=O)C=C(O3)CO)O

InChI

InChI=1S/C18H22N2O5/c1-24-14-4-2-13(3-5-14)20-8-6-19(7-9-20)11-17-18(23)16(22)10-15(12-21)25-17/h2-5,10,21,23H,6-9,11-12H2,1H3/p+1