3-[4-[[(2S)-butan-2-yl]carbamoyl]-2-methoxy-phenoxy]propylazanium

Systemtic Name: 3-[4-[[(2S)-butan-2-yl]carbamoyl]-2-methoxy-phenoxy]propylazanium Openeye Name: 3-[2-methoxy-4-[[(1S)-1-methylpropyl]carbamoyl]phenoxy]propylammonium CAS Name: 3-[4-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-methoxyphenoxy]propylammonium IUPAC Name: 3-[4-[[(2S)-butan-2-yl]carbamoyl]-2-methoxyphenoxy]propylazanium Traditional Name: 3-[2-methoxy-4-[[(1S)-1-methylpropyl]carbamoyl]phenoxy]propylammonium Formula: C15H25N2O3+ MolecularWeight: 281.3706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=C(C=C1)OCCC[NH3+])OC

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC(=C(C=C1)OCCC[NH3+])OC

InChI

InChI=1S/C15H24N2O3/c1-4-11(2)17-15(18)12-6-7-13(14(10-12)19-3)20-9-5-8-16/h6-7,10-11H,4-5,8-9,16H2,1-3H3,(H,17,18)/p+1/t11-/m0/s1