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

Systemtic Name: [(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-pentan-3-yl-azanium Openeye Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-(1-ethylpropyl)ammonium CAS Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-pentan-3-ylammonium IUPAC Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-pentan-3-ylazanium Traditional Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-(1-ethylpropyl)ammonium Formula: C17H28NO4+ MolecularWeight: 310.40852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4/c1-5-14(6-2)18-10-15(20)11-22-16-8-7-13(12(3)19)9-17(16)21-4/h7-9,14-15,18,20H,5-6,10-11H2,1-4H3/p+1/t15-/m0/s1