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

Systemtic Name: 2-(cyclohexen-1-yl)ethyl-[(2S)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]azanium Openeye Name: 2-(cyclohexen-1-yl)ethyl-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]ammonium CAS Name: 2-(1-cyclohexenyl)ethyl-[(2S)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]ammonium IUPAC Name: 2-(cyclohexen-1-yl)ethyl-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]azanium Traditional Name: 2-(cyclohexen-1-yl)ethyl-[(2S)-2-hydroxy-3-(4-propionylphenoxy)propyl]ammonium Formula: C20H30NO3+ MolecularWeight: 332.4571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO3/c1-2-20(23)17-8-10-19(11-9-17)24-15-18(22)14-21-13-12-16-6-4-3-5-7-16/h6,8-11,18,21-22H,2-5,7,12-15H2,1H3/p+1/t18-/m0/s1