3-[4-[(2S)-butan-2-yl]phenoxy]propyl-prop-2-enyl-azanium

Systemtic Name: 3-[4-[(2S)-butan-2-yl]phenoxy]propyl-prop-2-enyl-azanium Openeye Name: allyl-[3-[4-[(1S)-1-methylpropyl]phenoxy]propyl]ammonium CAS Name: 3-[4-[(2S)-butan-2-yl]phenoxy]propyl-prop-2-enylammonium IUPAC Name: 3-[4-[(2S)-butan-2-yl]phenoxy]propyl-prop-2-enylazanium Traditional Name: allyl-[3-[4-[(1S)-1-methylpropyl]phenoxy]propyl]ammonium Formula: C16H26NO+ MolecularWeight: 248.38374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO/c1-4-11-17-12-6-13-18-16-9-7-15(8-10-16)14(3)5-2/h4,7-10,14,17H,1,5-6,11-13H2,2-3H3/p+1/t14-/m0/s1