cyclohexyl-methyl-[(2S)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-(4-propionylphenoxy)propyl]-methyl-ammonium Formula: C19H30NO3+ MolecularWeight: 320.4464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(C[NH+](C)C2CCCCC2)O

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO3/c1-3-19(22)15-9-11-18(12-10-15)23-14-17(21)13-20(2)16-7-5-4-6-8-16/h9-12,16-17,21H,3-8,13-14H2,1-2H3/p+1/t17-/m0/s1