[(2R)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: [(2R)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: [(2R)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: [(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: [(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [(2R)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-[(1S)-1,4-dimethylpentyl]ammonium Formula: C19H32NO4+ MolecularWeight: 338.46168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]CC(COC1=C(C=C(C=C1)C(=O)C)OC)O

Isomeric SMILES

C[C@@H](CCC(C)C)[NH2+]C[C@H](COC1=C(C=C(C=C1)C(=O)C)OC)O

InChI

InChI=1S/C19H31NO4/c1-13(2)6-7-14(3)20-11-17(22)12-24-18-9-8-16(15(4)21)10-19(18)23-5/h8-10,13-14,17,20,22H,6-7,11-12H2,1-5H3/p+1/t14-,17+/m0/s1