2-[5-[[[(2S)-butan-2-yl]azaniumyl]methyl]-2-methoxy-phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[5-[[[(2S)-butan-2-yl]azaniumyl]methyl]-2-methoxy-phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[2-methoxy-5-[[[(1S)-1-methylpropyl]ammonio]methyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[5-[[[(2S)-butan-2-yl]ammonio]methyl]-2-methoxyphenoxy]ethyl-dimethylammonium IUPAC Name: 2-[5-[[[(2S)-butan-2-yl]azaniumyl]methyl]-2-methoxyphenoxy]ethyl-dimethylazanium Traditional Name: 2-[2-methoxy-5-[[[(1S)-1-methylpropyl]ammonio]methyl]phenoxy]ethyl-dimethyl-ammonium Formula: C16H30N2O2+2 MolecularWeight: 282.4216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O2/c1-6-13(2)17-12-14-7-8-15(19-5)16(11-14)20-10-9-18(3)4/h7-8,11,13,17H,6,9-10,12H2,1-5H3/p+2/t13-/m0/s1