3-[2-[(2S)-butan-2-yl]phenoxy]propyl-propan-2-yl-azanium

Systemtic Name: 3-[2-[(2S)-butan-2-yl]phenoxy]propyl-propan-2-yl-azanium Openeye Name: isopropyl-[3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]ammonium CAS Name: 3-[2-[(2S)-butan-2-yl]phenoxy]propyl-propan-2-ylammonium IUPAC Name: 3-[2-[(2S)-butan-2-yl]phenoxy]propyl-propan-2-ylazanium Traditional Name: isopropyl-[3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCCC[NH2+]C(C)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCCC[NH2+]C(C)C

InChI

InChI=1S/C16H27NO/c1-5-14(4)15-9-6-7-10-16(15)18-12-8-11-17-13(2)3/h6-7,9-10,13-14,17H,5,8,11-12H2,1-4H3/p+1/t14-/m0/s1