cyclobutyl-[(E)-3-hexyl-2-phosphonooxy-octadec-5-enyl]-dimethyl-azanium

Systemtic Name: cyclobutyl-[(E)-3-hexyl-2-phosphonooxy-octadec-5-enyl]-dimethyl-azanium Openeye Name: cyclobutyl-[(E)-3-hexyl-2-phosphonooxy-octadec-5-enyl]-dimethyl-ammonium CAS Name: cyclobutyl-[(E)-3-hexyl-2-phosphonooxyoctadec-5-enyl]-dimethylammonium IUPAC Name: cyclobutyl-[(E)-3-hexyl-2-phosphonooxyoctadec-5-enyl]-dimethylazanium Traditional Name: cyclobutyl-[(E)-3-hexyl-2-phosphonooxy-octadec-5-enyl]-dimethyl-ammonium Formula: C30H61NO4P+ MolecularWeight: 530.783401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CCC(CCCCCC)C(C[N+](C)(C)C1CCC1)OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/CC(CCCCCC)C(C[N+](C)(C)C1CCC1)OP(=O)(O)O

InChI

InChI=1S/C30H60NO4P/c1-5-7-9-11-12-13-14-15-16-17-18-19-21-24-28(23-20-10-8-6-2)30(35-36(32,33)34)27-31(3,4)29-25-22-26-29/h19,21,28-30H,5-18,20,22-27H2,1-4H3,(H-,32,33,34)/p+1/b21-19+