1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethyl]piperazin-4-ium

Systemtic Name: 1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethyl]piperazin-4-ium Openeye Name: 1-[2-[2-[(1S)-1-methylpropyl]phenoxy]ethyl]piperazin-4-ium CAS Name: 1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethyl]piperazin-4-ium IUPAC Name: 1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethyl]piperazin-4-ium Traditional Name: 1-[2-[2-[(1S)-1-methylpropyl]phenoxy]ethyl]piperazin-4-ium Formula: C16H27N2O+ MolecularWeight: 263.39838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCCN2CC[NH2+]CC2

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCCN2CC[NH2+]CC2

InChI

InChI=1S/C16H26N2O/c1-3-14(2)15-6-4-5-7-16(15)19-13-12-18-10-8-17-9-11-18/h4-7,14,17H,3,8-13H2,1-2H3/p+1/t14-/m0/s1