(3S)-3-[[4-[(2S)-butan-2-yl]phenoxy]methyl]piperidin-1-ium

Systemtic Name: (3S)-3-[[4-[(2S)-butan-2-yl]phenoxy]methyl]piperidin-1-ium Openeye Name: (3S)-3-[[4-[(1S)-1-methylpropyl]phenoxy]methyl]piperidin-1-ium CAS Name: (3S)-3-[[4-[(2S)-butan-2-yl]phenoxy]methyl]piperidin-1-ium IUPAC Name: (3S)-3-[[4-[(2S)-butan-2-yl]phenoxy]methyl]piperidin-1-ium Traditional Name: (3S)-3-[[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)OCC2CCC[NH2+]C2

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO/c1-3-13(2)15-6-8-16(9-7-15)18-12-14-5-4-10-17-11-14/h6-9,13-14,17H,3-5,10-12H2,1-2H3/p+1/t13-,14-/m0/s1