[4-methoxy-3-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [4-methoxy-3-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [3-[(1S)-2-(1-ethylpropylamino)-1-methyl-2-oxo-ethoxy]-4-methoxy-phenyl]methylammonium CAS Name: [4-methoxy-3-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [4-methoxy-3-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxyphenyl]methylazanium Traditional Name: [3-[(1S)-2-(1-ethylpropylamino)-2-keto-1-methyl-ethoxy]-4-methoxy-benzyl]ammonium Formula: C16H27N2O3+ MolecularWeight: 295.39718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C(C)OC1=C(C=CC(=C1)C[NH3+])OC

Isomeric SMILES

CCC(CC)NC(=O)[C@H](C)OC1=C(C=CC(=C1)C[NH3+])OC

InChI

InChI=1S/C16H26N2O3/c1-5-13(6-2)18-16(19)11(3)21-15-9-12(10-17)7-8-14(15)20-4/h7-9,11,13H,5-6,10,17H2,1-4H3,(H,18,19)/p+1/t11-/m0/s1