1,3-bis(2-ethylhexyl)-1-methyl-1,3-diazinan-1-ium-5-amine

Systemtic Name: 1,3-bis(2-ethylhexyl)-1-methyl-1,3-diazinan-1-ium-5-amine Openeye Name: 1,3-bis(2-ethylhexyl)-1-methyl-hexahydropyrimidin-1-ium-5-amine CAS Name: 1,3-bis(2-ethylhexyl)-1-methyl-1,3-diazinan-1-ium-5-amine IUPAC Name: 1,3-bis(2-ethylhexyl)-1-methyl-1,3-diazinan-1-ium-5-amine Traditional Name: [1,3-bis(2-ethylhexyl)-1-methyl-hexahydropyrimidin-1-ium-5-yl]amine Formula: C21H46N3+ MolecularWeight: 340.61004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1CC(C[N+](C1)(C)CC(CC)CCCC)N

Isomeric SMILES

CCCCC(CC)CN1CC(C[N+](C1)(C)CC(CC)CCCC)N

InChI

InChI=1S/C21H46N3/c1-6-10-12-19(8-3)14-23-15-21(22)17-24(5,18-23)16-20(9-4)13-11-7-2/h19-21H,6-18,22H2,1-5H3/q+1