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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-4-6-9-18-16(19)12(3)21-14-8-7-13(11-17)10-15(14)20-5-2/h7-8,10,12H,4-6,9,11,17H2,1-3H3,(H,18,19)/p+1/t12-/m0/s1