octadec-17-enyl-bis(2-oxidanylpropyl)-(phenylmethyl)azanium chloride

Systemtic Name: octadec-17-enyl-bis(2-oxidanylpropyl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-bis(2-hydroxypropyl)-octadec-17-enyl-ammonium chloride CAS Name: bis(2-hydroxypropyl)-octadec-17-enyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-bis(2-hydroxypropyl)-octadec-17-enylazanium chloride Traditional Name: benzyl-bis(2-hydroxypropyl)-octadec-17-enyl-ammonium chloride Formula: C31H56ClNO2 MolecularWeight: 510.23484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](CCCCCCCCCCCCCCCCC=C)(CC1=CC=CC=C1)CC(C)O)O.[Cl-]

Isomeric SMILES

CC(C[N+](CCCCCCCCCCCCCCCCC=C)(CC1=CC=CC=C1)CC(C)O)O.[Cl-]

InChI

InChI=1S/C31H56NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32(26-29(2)33,27-30(3)34)28-31-23-20-19-21-24-31;/h4,19-21,23-24,29-30,33-34H,1,5-18,22,25-28H2,2-3H3;1H/q+1;/p-1