4-[2-[(2S)-butan-2-yl]phenoxy]butyl-diethyl-azanium

Systemtic Name: 4-[2-[(2S)-butan-2-yl]phenoxy]butyl-diethyl-azanium Openeye Name: diethyl-[4-[2-[(1S)-1-methylpropyl]phenoxy]butyl]ammonium CAS Name: 4-[2-[(2S)-butan-2-yl]phenoxy]butyl-diethylammonium IUPAC Name: 4-[2-[(2S)-butan-2-yl]phenoxy]butyl-diethylazanium Traditional Name: diethyl-[4-[2-[(1S)-1-methylpropyl]phenoxy]butyl]ammonium Formula: C18H32NO+ MolecularWeight: 278.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCCCC[NH+](CC)CC

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCCCC[NH+](CC)CC

InChI

InChI=1S/C18H31NO/c1-5-16(4)17-12-8-9-13-18(17)20-15-11-10-14-19(6-2)7-3/h8-9,12-13,16H,5-7,10-11,14-15H2,1-4H3/p+1/t16-/m0/s1