dimethyl-[(E)-3-octyl-2-phosphonooxy-hexadec-7-enyl]-propan-2-yl-azanium

Systemtic Name: dimethyl-[(E)-3-octyl-2-phosphonooxy-hexadec-7-enyl]-propan-2-yl-azanium Openeye Name: isopropyl-dimethyl-[(E)-3-octyl-2-phosphonooxy-hexadec-7-enyl]ammonium CAS Name: dimethyl-[(E)-3-octyl-2-phosphonooxyhexadec-7-enyl]-propan-2-ylammonium IUPAC Name: dimethyl-[(E)-3-octyl-2-phosphonooxyhexadec-7-enyl]-propan-2-ylazanium Traditional Name: isopropyl-dimethyl-[(E)-3-octyl-2-phosphonooxy-hexadec-7-enyl]ammonium Formula: C29H61NO4P+ MolecularWeight: 518.772701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCC(CCCCCCCC)C(C[N+](C)(C)C(C)C)OP(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCC(CCCCCCCC)C(C[N+](C)(C)C(C)C)OP(=O)(O)O

InChI

InChI=1S/C29H60NO4P/c1-7-9-11-13-15-16-17-18-19-21-23-25-28(24-22-20-14-12-10-8-2)29(34-35(31,32)33)26-30(5,6)27(3)4/h18-19,27-29H,7-17,20-26H2,1-6H3,(H-,31,32,33)/p+1/b19-18+