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

Systemtic Name: 1-adamantylmethyl-[(2S)-3-(2-methoxy-4-methoxycarbonyl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 1-adamantylmethyl-[(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonyl-phenoxy)propyl]ammonium CAS Name: 1-adamantylmethyl-[(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]ammonium IUPAC Name: 1-adamantylmethyl-[(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]azanium Traditional Name: 1-adamantylmethyl-[(2S)-3-(4-carbomethoxy-2-methoxy-phenoxy)-2-hydroxy-propyl]ammonium Formula: C23H34NO5+ MolecularWeight: 404.51976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(C[NH2+]CC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC[C@H](C[NH2+]CC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C23H33NO5/c1-27-21-8-18(22(26)28-2)3-4-20(21)29-13-19(25)12-24-14-23-9-15-5-16(10-23)7-17(6-15)11-23/h3-4,8,15-17,19,24-25H,5-7,9-14H2,1-2H3/p+1/t15?,16?,17?,19-,23?/m0/s1