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

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one Openeye Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone IUPAC Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-3-hydroxy-6-methylol-pyran-4-one Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(C(=O)C=C(O3)CO)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(C(=O)C=C(O3)CO)O)C

InChI

InChI=1S/C19H24N2O4/c1-13-4-3-5-16(14(13)2)21-8-6-20(7-9-21)11-18-19(24)17(23)10-15(12-22)25-18/h3-5,10,22,24H,6-9,11-12H2,1-2H3/p+1