(3-hexadecoxy-2-phenylmethoxy-propyl) (4-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-2-yl)methyl phosphate

Systemtic Name: (3-hexadecoxy-2-phenylmethoxy-propyl) (4-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-2-yl)methyl phosphate Openeye Name: (2-benzyloxy-3-hexadecoxy-propyl) (4-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-2-yl)methyl phosphate CAS Name: (3-hexadecoxy-2-phenylmethoxypropyl) (4-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-2-yl)methyl phosphate IUPAC Name: (3-hexadecoxy-2-phenylmethoxypropyl) (4-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-2-yl)methyl phosphate Traditional Name: (2-benzoxy-3-cetyloxy-propyl) (4-methylpyrrolizidin-4-ium-2-yl)methyl phosphate Formula: C35H62NO6P MolecularWeight: 623.843641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC1CC2CCC[N+]2(C1)C)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC1CC2CCC[N+]2(C1)C)OCC3=CC=CC=C3

InChI

InChI=1S/C35H62NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-39-30-35(40-28-32-21-17-16-18-22-32)31-42-43(37,38)41-29-33-26-34-23-20-24-36(34,2)27-33/h16-18,21-22,33-35H,3-15,19-20,23-31H2,1-2H3