2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethylazaniumyl]ethyl-dimethyl-azanium Openeye Name: dimethyl-[2-[2-[2-[(1S)-1-methylpropyl]phenoxy]ethylammonio]ethyl]ammonium CAS Name: 2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethylammonio]ethyl-dimethylammonium IUPAC Name: 2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethylazaniumyl]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[2-[2-[(1S)-1-methylpropyl]phenoxy]ethylammonio]ethyl]ammonium Formula: C16H30N2O+2 MolecularWeight: 266.4222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC[NH2+]CC[NH+](C)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCC[NH2+]CC[NH+](C)C

InChI

InChI=1S/C16H28N2O/c1-5-14(2)15-8-6-7-9-16(15)19-13-11-17-10-12-18(3)4/h6-9,14,17H,5,10-13H2,1-4H3/p+2/t14-/m0/s1