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

Systemtic Name: [3-ethoxy-4-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [3-ethoxy-4-[(1S)-1-methyl-2-oxo-2-(propylamino)ethoxy]phenyl]methylammonium CAS Name: [3-ethoxy-4-[(2S)-1-oxo-1-(propylamino)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3-ethoxy-4-[(2S)-1-oxo-1-(propylamino)propan-2-yl]oxyphenyl]methylazanium Traditional Name: [3-ethoxy-4-[(1S)-2-keto-1-methyl-2-(propylamino)ethoxy]benzyl]ammonium Formula: C15H25N2O3+ MolecularWeight: 281.3706

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC1=C(C=C(C=C1)C[NH3+])OCC

Isomeric SMILES

CCCNC(=O)[C@H](C)OC1=C(C=C(C=C1)C[NH3+])OCC

InChI

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