4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butylazanium

Systemtic Name: 4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butylazanium Openeye Name: 4-[4-(1,1,3,3-tetramethylbutyl)phenoxy]butylammonium CAS Name: 4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butylammonium IUPAC Name: 4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butylazanium Traditional Name: 4-[4-(1,1,3,3-tetramethylbutyl)phenoxy]butylammonium Formula: C18H32NO+ MolecularWeight: 278.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCCC[NH3+]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCCC[NH3+]

InChI

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