cyclohexylmethyl-[(2S)-3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: cyclohexylmethyl-[(2S)-3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(3-acetylphenoxy)-2-hydroxy-propyl]-(cyclohexylmethyl)ammonium CAS Name: [(2S)-3-(3-acetylphenoxy)-2-hydroxypropyl]-(cyclohexylmethyl)ammonium IUPAC Name: [(2S)-3-(3-acetylphenoxy)-2-hydroxypropyl]-(cyclohexylmethyl)azanium Traditional Name: [(2S)-3-(3-acetylphenoxy)-2-hydroxy-propyl]-(cyclohexylmethyl)ammonium Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(C[NH2+]CC2CCCCC2)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC[C@H](C[NH2+]CC2CCCCC2)O

InChI

InChI=1S/C18H27NO3/c1-14(20)16-8-5-9-18(10-16)22-13-17(21)12-19-11-15-6-3-2-4-7-15/h5,8-10,15,17,19,21H,2-4,6-7,11-13H2,1H3/p+1/t17-/m0/s1