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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-11(2)7-8-18-16(19)12(3)21-15-9-13(10-17)5-6-14(15)20-4/h5-6,9,11-12H,7-8,10,17H2,1-4H3,(H,18,19)/p+1/t12-/m1/s1