1,2-bis(oxidanyl)propylazanium; 2-[(E)-pentadec-6-enyl]cyclopropan-1-one; bromide

Systemtic Name: 1,2-bis(oxidanyl)propylazanium; 2-[(E)-pentadec-6-enyl]cyclopropan-1-one; bromide Openeye Name: 1,2-dihydroxypropylammonium; 2-[(E)-pentadec-6-enyl]cyclopropanone; bromide CAS Name: 1,2-dihydroxypropylammonium; 2-[(E)-pentadec-6-enyl]-1-cyclopropanone; bromide IUPAC Name: 1,2-dihydroxypropylazanium; 2-[(E)-pentadec-6-enyl]cyclopropan-1-one; bromide Traditional Name: 1,2-dihydroxypropylammonium; 2-[(E)-pentadec-6-enyl]cyclopropanone; bromide Formula: C21H42BrNO3 MolecularWeight: 436.46708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCC1CC1=O.CC(C([NH3+])O)O.[Br-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCC1CC1=O.CC(C([NH3+])O)O.[Br-]

InChI

InChI=1S/C18H32O.C3H9NO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18(17)19;1-2(5)3(4)6;/h9-10,17H,2-8,11-16H2,1H3;2-3,5-6H,4H2,1H3;1H/b10-9+;;