4-[[4-[(2S)-butan-2-yl]phenoxy]methyl]piperidin-1-ium

Systemtic Name: 4-[[4-[(2S)-butan-2-yl]phenoxy]methyl]piperidin-1-ium Openeye Name: 4-[[4-[(1S)-1-methylpropyl]phenoxy]methyl]piperidin-1-ium CAS Name: 4-[[4-[(2S)-butan-2-yl]phenoxy]methyl]piperidin-1-ium IUPAC Name: 4-[[4-[(2S)-butan-2-yl]phenoxy]methyl]piperidin-1-ium Traditional Name: 4-[[4-[(1S)-1-methylpropyl]phenoxy]methyl]piperidin-1-ium Formula: C16H26NO+ MolecularWeight: 248.38374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC2CC[NH2+]CC2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)OCC2CC[NH2+]CC2

InChI

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