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

Systemtic Name: [(2S)-3-(2-methoxy-4-methoxycarbonyl-phenoxy)-2-oxidanyl-propyl]-(4-oxidanylcyclohexyl)azanium Openeye Name: (4-hydroxycyclohexyl)-[(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonyl-phenoxy)propyl]ammonium CAS Name: (4-hydroxycyclohexyl)-[(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]ammonium IUPAC Name: (4-hydroxycyclohexyl)-[(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]azanium Traditional Name: [(2S)-3-(4-carbomethoxy-2-methoxy-phenoxy)-2-hydroxy-propyl]-(4-hydroxycyclohexyl)ammonium Formula: C18H28NO6+ MolecularWeight: 354.41802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(C[NH2+]C2CCC(CC2)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC[C@H](C[NH2+]C2CCC(CC2)O)O

InChI

InChI=1S/C18H27NO6/c1-23-17-9-12(18(22)24-2)3-8-16(17)25-11-15(21)10-19-13-4-6-14(20)7-5-13/h3,8-9,13-15,19-21H,4-7,10-11H2,1-2H3/p+1/t13?,14?,15-/m0/s1