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

Systemtic Name: [(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-(4-oxidanylcyclohexyl)azanium Openeye Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-(4-hydroxycyclohexyl)ammonium CAS Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-(4-hydroxycyclohexyl)ammonium IUPAC Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-(4-hydroxycyclohexyl)azanium Traditional Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-(4-hydroxycyclohexyl)ammonium Formula: C18H28NO5+ MolecularWeight: 338.41862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(C[NH2+]C2CCC(CC2)O)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@H](C[NH2+]C2CCC(CC2)O)O)OC

InChI

InChI=1S/C18H27NO5/c1-12(20)13-3-8-17(18(9-13)23-2)24-11-16(22)10-19-14-4-6-15(21)7-5-14/h3,8-9,14-16,19,21-22H,4-7,10-11H2,1-2H3/p+1/t14?,15?,16-/m0/s1