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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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