4-(dimethylamino)butyl [4-oxidanylidene-2-[(4-tetradecoxyphenyl)methyl]pentyl] hydrogen phosphate

Systemtic Name: 4-(dimethylamino)butyl [4-oxidanylidene-2-[(4-tetradecoxyphenyl)methyl]pentyl] hydrogen phosphate Openeye Name: 4-(dimethylamino)butyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]pentyl] hydrogen phosphate CAS Name: 4-(dimethylamino)butyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]pentyl] hydrogen phosphate IUPAC Name: 4-(dimethylamino)butyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]pentyl] hydrogen phosphate Traditional Name: 4-(dimethylamino)butyl [4-keto-2-(4-myristyloxybenzyl)pentyl] hydrogen phosphate Formula: C32H58NO6P MolecularWeight: 583.779781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)C)COP(=O)(O)OCCCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)C)COP(=O)(O)OCCCCN(C)C

InChI

InChI=1S/C32H58NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-17-24-37-32-21-19-30(20-22-32)27-31(26-29(2)34)28-39-40(35,36)38-25-18-16-23-33(3)4/h19-22,31H,5-18,23-28H2,1-4H3,(H,35,36)