2-[2-[[[(2S)-butan-2-yl]azaniumyl]methyl]-6-methoxy-phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[[[(2S)-butan-2-yl]azaniumyl]methyl]-6-methoxy-phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[2-methoxy-6-[[[(1S)-1-methylpropyl]ammonio]methyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[2-[[[(2S)-butan-2-yl]ammonio]methyl]-6-methoxyphenoxy]ethyl-dimethylammonium IUPAC Name: 2-[2-[[[(2S)-butan-2-yl]azaniumyl]methyl]-6-methoxyphenoxy]ethyl-dimethylazanium Traditional Name: 2-[2-methoxy-6-[[[(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=C(C(=CC=C1)OC)OCC[NH+](C)C

Isomeric SMILES

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

InChI

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