cyclohexyl-ethyl-[(2S)-3-(4-methoxycarbonylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: cyclohexyl-ethyl-[(2S)-3-(4-methoxycarbonylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-ethyl-[(2S)-2-hydroxy-3-(4-methoxycarbonylphenoxy)propyl]ammonium CAS Name: cyclohexyl-ethyl-[(2S)-2-hydroxy-3-(4-methoxycarbonylphenoxy)propyl]ammonium IUPAC Name: cyclohexyl-ethyl-[(2S)-2-hydroxy-3-(4-methoxycarbonylphenoxy)propyl]azanium Traditional Name: [(2S)-3-(4-carbomethoxyphenoxy)-2-hydroxy-propyl]-cyclohexyl-ethyl-ammonium Formula: C19H30NO4+ MolecularWeight: 336.4458

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(COC1=CC=C(C=C1)C(=O)OC)O)C2CCCCC2

Isomeric SMILES

CC[NH+](C[C@@H](COC1=CC=C(C=C1)C(=O)OC)O)C2CCCCC2

InChI

InChI=1S/C19H29NO4/c1-3-20(16-7-5-4-6-8-16)13-17(21)14-24-18-11-9-15(10-12-18)19(22)23-2/h9-12,16-17,21H,3-8,13-14H2,1-2H3/p+1/t17-/m0/s1