4-methylpentan-2-yl-(4-phenylazanylphenyl)azanium; octadecanoate

Systemtic Name: 4-methylpentan-2-yl-(4-phenylazanylphenyl)azanium; octadecanoate Openeye Name: (4-anilinophenyl)-(1,3-dimethylbutyl)ammonium; octadecanoate CAS Name: (4-anilinophenyl)-(4-methylpentan-2-yl)ammonium; octadecanoate IUPAC Name: (4-anilinophenyl)-(4-methylpentan-2-yl)azanium; octadecanoate Traditional Name: (4-anilinophenyl)-(1,3-dimethylbutyl)ammonium; stearate Formula: C36H60N2O2 MolecularWeight: 552.8738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CC(C)CC(C)[NH2+]C1=CC=C(C=C1)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CC(C)CC(C)[NH2+]C1=CC=C(C=C1)NC2=CC=CC=C2

InChI

InChI=1S/C18H24N2.C18H36O2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-12,14-15,19-20H,13H2,1-3H3;2-17H2,1H3,(H,19,20)