bis(3-methylheptan-4-yl)-[(E)-octadec-9-enyl]-phosphono-azanium

Systemtic Name: bis(3-methylheptan-4-yl)-[(E)-octadec-9-enyl]-phosphono-azanium Openeye Name: bis(2-methyl-1-propyl-butyl)-[(E)-octadec-9-enyl]-phosphono-ammonium CAS Name: bis(3-methylheptan-4-yl)-[(E)-octadec-9-enyl]-phosphonoammonium IUPAC Name: bis(3-methylheptan-4-yl)-[(E)-octadec-9-enyl]-phosphonoazanium Traditional Name: bis(2-methyl-1-propyl-butyl)-[(E)-octadec-9-enyl]-phosphono-ammonium Formula: C34H71NO3P+ MolecularWeight: 572.906201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC[N+](C(CCC)C(C)CC)(C(CCC)C(C)CC)P(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC[N+](C(CCC)C(C)CC)(C(CCC)C(C)CC)P(=O)(O)O

InChI

InChI=1S/C34H70NO3P/c1-8-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-35(39(36,37)38,33(28-9-2)31(6)11-4)34(29-10-3)32(7)12-5/h19-20,31-34H,8-18,21-30H2,1-7H3,(H-,36,37,38)/p+1/b20-19+