2-ethylhexan-1-olate; tributyl-(N,N,N'-tributylcarbamimidoyl)azanium

Systemtic Name: 2-ethylhexan-1-olate; tributyl-(N,N,N'-tributylcarbamimidoyl)azanium Openeye Name: 2-ethylhexan-1-olate; tributyl-(N,N,N'-tributylcarbamimidoyl)ammonium CAS Name: 2-ethyl-1-hexanolate; tributyl-[butylimino-(dibutylamino)methyl]ammonium IUPAC Name: 2-ethylhexan-1-olate; tributyl-(N,N,N'-tributylcarbamimidoyl)azanium Traditional Name: 2-ethylhexan-1-olate; tributyl-(N,N,N'-tributylamidino)ammonium Formula: C33H71N3O MolecularWeight: 525.93634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[O-].CCCCN=C(N(CCCC)CCCC)[N+](CCCC)(CCCC)CCCC

Isomeric SMILES

CCCCC(CC)C[O-].CCCCN=C(N(CCCC)CCCC)[N+](CCCC)(CCCC)CCCC

InChI

InChI=1S/C25H54N3.C8H17O/c1-7-13-19-26-25(27(20-14-8-2)21-15-9-3)28(22-16-10-4,23-17-11-5)24-18-12-6;1-3-5-6-8(4-2)7-9/h7-24H2,1-6H3;8H,3-7H2,1-2H3/q+1;-1