2-(cyclohexen-1-yl)ethyl-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 2-(cyclohexen-1-yl)ethyl-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-[2-(cyclohexen-1-yl)ethyl]ammonium CAS Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[2-(1-cyclohexenyl)ethyl]ammonium IUPAC Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[2-(cyclohexen-1-yl)ethyl]azanium Traditional Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-[2-(cyclohexen-1-yl)ethyl]ammonium Formula: C19H28NO3+ MolecularWeight: 318.43052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(C[NH2+]CCC2=CCCCC2)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@H](C[NH2+]CCC2=CCCCC2)O

InChI

InChI=1S/C19H27NO3/c1-15(21)17-7-9-19(10-8-17)23-14-18(22)13-20-12-11-16-5-3-2-4-6-16/h5,7-10,18,20,22H,2-4,6,11-14H2,1H3/p+1/t18-/m0/s1