3-[4-[(2S)-butan-2-yl]phenoxy]propyl-tert-butyl-azanium

Systemtic Name: 3-[4-[(2S)-butan-2-yl]phenoxy]propyl-tert-butyl-azanium Openeye Name: tert-butyl-[3-[4-[(1S)-1-methylpropyl]phenoxy]propyl]ammonium CAS Name: 3-[4-[(2S)-butan-2-yl]phenoxy]propyl-tert-butylammonium IUPAC Name: 3-[4-[(2S)-butan-2-yl]phenoxy]propyl-tert-butylazanium Traditional Name: tert-butyl-[3-[4-[(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=C(C=C1)OCCC[NH2+]C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO/c1-6-14(2)15-8-10-16(11-9-15)19-13-7-12-18-17(3,4)5/h8-11,14,18H,6-7,12-13H2,1-5H3/p+1/t14-/m0/s1