bis[3-(dimethylamino)-1-[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]propyl] butanedioate

Systemtic Name: bis[3-(dimethylamino)-1-[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]propyl] butanedioate Openeye Name: bis[3-(dimethylamino)-1-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]propyl] butanedioate CAS Name: butanedioic acid bis[3-(dimethylamino)-1-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]propyl] ester IUPAC Name: bis[3-(dimethylamino)-1-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]propyl] butanedioate Traditional Name: succinic acid bis[3-(dimethylamino)-1-(5-hydroxy-6-methyl-4-methylol-3-pyridyl)propyl] ester Formula: C28H42N4O8 MolecularWeight: 562.65508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)C(CCN(C)C)OC(=O)CCC(=O)OC(CCN(C)C)C2=CN=C(C(=C2CO)O)C

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)C(CCN(C)C)OC(=O)CCC(=O)OC(CCN(C)C)C2=CN=C(C(=C2CO)O)C

InChI

InChI=1S/C28H42N4O8/c1-17-27(37)21(15-33)19(13-29-17)23(9-11-31(3)4)39-25(35)7-8-26(36)40-24(10-12-32(5)6)20-14-30-18(2)28(38)22(20)16-34/h13-14,23-24,33-34,37-38H,7-12,15-16H2,1-6H3