[4-[4-[(2S)-4-methylpentan-2-yl]oxybutanoylamino]phenyl]methylazanium

Systemtic Name: [4-[4-[(2S)-4-methylpentan-2-yl]oxybutanoylamino]phenyl]methylazanium Openeye Name: [4-[4-[(1S)-1,3-dimethylbutoxy]butanoylamino]phenyl]methylammonium CAS Name: [4-[[4-[(2S)-4-methylpentan-2-yl]oxy-1-oxobutyl]amino]phenyl]methylammonium IUPAC Name: [4-[4-[(2S)-4-methylpentan-2-yl]oxybutanoylamino]phenyl]methylazanium Traditional Name: [4-[4-[(1S)-1,3-dimethylbutoxy]butanoylamino]benzyl]ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)OCCCC(=O)NC1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

C[C@@H](CC(C)C)OCCCC(=O)NC1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C17H28N2O2/c1-13(2)11-14(3)21-10-4-5-17(20)19-16-8-6-15(12-18)7-9-16/h6-9,13-14H,4-5,10-12,18H2,1-3H3,(H,19,20)/p+1/t14-/m0/s1