2-(2-methylphenyl)propan-2-ylazanium; (E)-octadec-9-enoate

Systemtic Name: 2-(2-methylphenyl)propan-2-ylazanium; (E)-octadec-9-enoate Openeye Name: [1-methyl-1-(o-tolyl)ethyl]ammonium; (E)-octadec-9-enoate CAS Name: 2-(2-methylphenyl)propan-2-ylammonium; (E)-9-octadecenoate IUPAC Name: 2-(2-methylphenyl)propan-2-ylazanium; (E)-octadec-9-enoate Traditional Name: [1-methyl-1-(o-tolyl)ethyl]ammonium; (E)-octadec-9-enoate Formula: C28H49NO2 MolecularWeight: 431.69416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].CC1=CC=CC=C1C(C)(C)[NH3+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CC1=CC=CC=C1C(C)(C)[NH3+]

InChI

InChI=1S/C18H34O2.C10H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8-6-4-5-7-9(8)10(2,3)11/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-7H,11H2,1-3H3/b10-9+;