3-azanylideneisoindol-1-amine; dodecanoate

Systemtic Name: 3-azanylideneisoindol-1-amine; dodecanoate Openeye Name: dodecanoate; 3-iminoisoindol-1-amine CAS Name: dodecanoate; 3-imino-1-isoindolamine IUPAC Name: dodecanoate; 3-iminoisoindol-1-amine Traditional Name: (3-iminoisoindol-1-yl)amine; laurate Formula: C20H30N3O2- MolecularWeight: 344.4711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)[O-].C1=CC=C2C(=C1)C(=NC2=N)N

Isomeric SMILES

CCCCCCCCCCCC(=O)[O-].C1=CC=C2C(=C1)C(=NC2=N)N

InChI

InChI=1S/C12H24O2.C8H7N3/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;9-7-5-3-1-2-4-6(5)8(10)11-7/h2-11H2,1H3,(H,13,14);1-4H,(H3,9,10,11)/p-1