[4-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]methylazanium

Systemtic Name: [4-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]methylazanium Openeye Name: [4-[(1S)-2-(butylamino)-1-methyl-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [4-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [4-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [4-[(1S)-2-(butylamino)-2-keto-1-methyl-ethoxy]benzyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)OC1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

CCCCNC(=O)[C@H](C)OC1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C14H22N2O2/c1-3-4-9-16-14(17)11(2)18-13-7-5-12(10-15)6-8-13/h5-8,11H,3-4,9-10,15H2,1-2H3,(H,16,17)/p+1/t11-/m0/s1