[3-ethoxy-4-[(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [3-ethoxy-4-[(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [3-ethoxy-4-[(1R)-2-(isobutylamino)-1-methyl-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [3-ethoxy-4-[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3-ethoxy-4-[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [3-ethoxy-4-[(1R)-2-(isobutylamino)-2-keto-1-methyl-ethoxy]benzyl]ammonium Formula: C16H27N2O3+ MolecularWeight: 295.39718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH3+])OC(C)C(=O)NCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH3+])O[C@H](C)C(=O)NCC(C)C

InChI

InChI=1S/C16H26N2O3/c1-5-20-15-8-13(9-17)6-7-14(15)21-12(4)16(19)18-10-11(2)3/h6-8,11-12H,5,9-10,17H2,1-4H3,(H,18,19)/p+1/t12-/m1/s1