[4-methoxy-3-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]phenyl]methylazanium

Systemtic Name: [4-methoxy-3-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]phenyl]methylazanium Openeye Name: [3-[2-(isopropylamino)-2-oxo-ethoxy]-4-methoxy-phenyl]methylammonium CAS Name: [4-methoxy-3-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylammonium IUPAC Name: [4-methoxy-3-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylazanium Traditional Name: [3-[2-(isopropylamino)-2-keto-ethoxy]-4-methoxy-benzyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC1=C(C=CC(=C1)C[NH3+])OC

Isomeric SMILES

CC(C)NC(=O)COC1=C(C=CC(=C1)C[NH3+])OC

InChI

InChI=1S/C13H20N2O3/c1-9(2)15-13(16)8-18-12-6-10(7-14)4-5-11(12)17-3/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)/p+1