3-[2-[(2S)-butan-2-yl]phenoxy]propyl-tert-butyl-azanium

Systemtic Name: 3-[2-[(2S)-butan-2-yl]phenoxy]propyl-tert-butyl-azanium Openeye Name: tert-butyl-[3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]ammonium CAS Name: 3-[2-[(2S)-butan-2-yl]phenoxy]propyl-tert-butylammonium IUPAC Name: 3-[2-[(2S)-butan-2-yl]phenoxy]propyl-tert-butylazanium Traditional Name: tert-butyl-[3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]ammonium Formula: C17H30NO+ MolecularWeight: 264.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCCC[NH2+]C(C)(C)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCCC[NH2+]C(C)(C)C

InChI

InChI=1S/C17H29NO/c1-6-14(2)15-10-7-8-11-16(15)19-13-9-12-18-17(3,4)5/h7-8,10-11,14,18H,6,9,12-13H2,1-5H3/p+1/t14-/m0/s1