[(2R)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-(3-methylbutyl)azanium

Systemtic Name: [(2R)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-(3-methylbutyl)azanium Openeye Name: [(2R)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-isopentyl-ammonium CAS Name: [(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-(3-methylbutyl)ammonium IUPAC Name: [(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-(3-methylbutyl)azanium Traditional Name: [(2R)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-isoamyl-ammonium Formula: C17H28NO4+ MolecularWeight: 310.40852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4/c1-12(2)7-8-18-10-15(20)11-22-16-6-5-14(13(3)19)9-17(16)21-4/h5-6,9,12,15,18,20H,7-8,10-11H2,1-4H3/p+1/t15-/m1/s1