3-cyclohexylbutanoate; dicyclohexylazanium

Systemtic Name: 3-cyclohexylbutanoate; dicyclohexylazanium Openeye Name: 3-cyclohexylbutanoate; dicyclohexylammonium CAS Name: 3-cyclohexylbutanoate; dicyclohexylammonium IUPAC Name: 3-cyclohexylbutanoate; dicyclohexylazanium Traditional Name: 3-cyclohexylbutyrate; dicyclohexylammonium Formula: C22H41NO2 MolecularWeight: 351.56644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[O-])C1CCCCC1.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC(CC(=O)[O-])C1CCCCC1.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H23N.C10H18O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-8(7-10(11)12)9-5-3-2-4-6-9/h11-13H,1-10H2;8-9H,2-7H2,1H3,(H,11,12)