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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(C[NH2+]C2CCCCCC2)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@H](C[NH2+]C2CCCCCC2)O

InChI

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