[(1R)-1-[4-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]propyl]azanium

Systemtic Name: [(1R)-1-[4-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]propyl]azanium Openeye Name: [(1R)-1-[4-[(1S)-2-(butylamino)-1-methyl-2-oxo-ethoxy]phenyl]propyl]ammonium CAS Name: [(1R)-1-[4-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxyphenyl]propyl]ammonium IUPAC Name: [(1R)-1-[4-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxyphenyl]propyl]azanium Traditional Name: [(1R)-1-[4-[(1S)-2-(butylamino)-2-keto-1-methyl-ethoxy]phenyl]propyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-4-6-11-18-16(19)12(3)20-14-9-7-13(8-10-14)15(17)5-2/h7-10,12,15H,4-6,11,17H2,1-3H3,(H,18,19)/p+1/t12-,15+/m0/s1