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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-5-11(3)18-16(19)12(4)21-14-8-7-13(10-17)9-15(14)20-6-2/h7-9,11-12H,5-6,10,17H2,1-4H3,(H,18,19)/p+1/t11-,12-/m1/s1