[1,3-bis[(2S)-2-ethylhexyl]-5-methyl-1,3-diazinane-1,3-diium-5-yl]azanium

Systemtic Name: [1,3-bis[(2S)-2-ethylhexyl]-5-methyl-1,3-diazinane-1,3-diium-5-yl]azanium Openeye Name: [1,3-bis[(2S)-2-ethylhexyl]-5-methyl-hexahydropyrimidine-1,3-diium-5-yl]ammonium CAS Name: [1,3-bis[(2S)-2-ethylhexyl]-5-methyl-1,3-diazinane-1,3-diium-5-yl]ammonium IUPAC Name: [1,3-bis[(2S)-2-ethylhexyl]-5-methyl-1,3-diazinane-1,3-diium-5-yl]azanium Traditional Name: [1,3-bis[(2S)-2-ethylhexyl]-5-methyl-hexahydropyrimidine-1,3-diium-5-yl]ammonium Formula: C21H48N3+3 MolecularWeight: 342.62592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH+]1CC(C[NH+](C1)CC(CC)CCCC)(C)[NH3+]

Isomeric SMILES

CCCC[C@H](CC)C[NH+]1CC(C[NH+](C1)C[C@@H](CC)CCCC)(C)[NH3+]

InChI

InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3/p+3/t19-,20-/m0/s1