(3S)-3-[[2-[(2S)-butan-2-yl]phenoxy]methyl]piperidin-1-ium

Systemtic Name: (3S)-3-[[2-[(2S)-butan-2-yl]phenoxy]methyl]piperidin-1-ium Openeye Name: (3S)-3-[[2-[(1S)-1-methylpropyl]phenoxy]methyl]piperidin-1-ium CAS Name: (3S)-3-[[2-[(2S)-butan-2-yl]phenoxy]methyl]piperidin-1-ium IUPAC Name: (3S)-3-[[2-[(2S)-butan-2-yl]phenoxy]methyl]piperidin-1-ium Traditional Name: (3S)-3-[[2-[(1S)-1-methylpropyl]phenoxy]methyl]piperidin-1-ium Formula: C16H26NO+ MolecularWeight: 248.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC2CCC[NH2+]C2

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OC[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C16H25NO/c1-3-13(2)15-8-4-5-9-16(15)18-12-14-7-6-10-17-11-14/h4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3/p+1/t13-,14-/m0/s1