5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde; phosphoric acid; 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one

Systemtic Name: 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde; phosphoric acid; 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one Openeye Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde; phosphoric acid; 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one CAS Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde; phosphoric acid; 4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde; phosphoric acid; 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one Traditional Name: 3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde; phosphoric acid; 4-pyrrolidino-1-(2,4,6-trimethoxyphenyl)butan-1-one Formula: C25H37N2O11P MolecularWeight: 572.541841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=O)CO.COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC.OP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)C=O)CO.COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC.OP(=O)(O)O

InChI

InChI=1S/C17H25NO4.C8H9NO3.H3O4P/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;1-5-8(12)7(4-11)6(3-10)2-9-5;1-5(2,3)4/h11-12H,4-10H2,1-3H3;2,4,10,12H,3H2,1H3;(H3,1,2,3,4)