2-[3-[[[(2S)-butan-2-yl]azaniumyl]methyl]phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[[[(2S)-butan-2-yl]azaniumyl]methyl]phenoxy]ethyl-dimethyl-azanium Openeye Name: dimethyl-[2-[3-[[[(1S)-1-methylpropyl]ammonio]methyl]phenoxy]ethyl]ammonium CAS Name: 2-[3-[[[(2S)-butan-2-yl]ammonio]methyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[3-[[[(2S)-butan-2-yl]azaniumyl]methyl]phenoxy]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[3-[[[(1S)-1-methylpropyl]ammonio]methyl]phenoxy]ethyl]ammonium Formula: C15H28N2O+2 MolecularWeight: 252.39562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=CC(=CC=C1)OCC[NH+](C)C

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC(=CC=C1)OCC[NH+](C)C

InChI

InChI=1S/C15H26N2O/c1-5-13(2)16-12-14-7-6-8-15(11-14)18-10-9-17(3)4/h6-8,11,13,16H,5,9-10,12H2,1-4H3/p+2/t13-/m0/s1