[(2S)-2-oxidanyl-3-(2-phenylphenoxy)propyl]-pentan-3-yl-azanium

Systemtic Name: [(2S)-2-oxidanyl-3-(2-phenylphenoxy)propyl]-pentan-3-yl-azanium Openeye Name: 1-ethylpropyl-[(2S)-2-hydroxy-3-(2-phenylphenoxy)propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(2-phenylphenoxy)propyl]-pentan-3-ylammonium IUPAC Name: [(2S)-2-hydroxy-3-(2-phenylphenoxy)propyl]-pentan-3-ylazanium Traditional Name: 1-ethylpropyl-[(2S)-2-hydroxy-3-(2-phenylphenoxy)propyl]ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CC(COC1=CC=CC=C1C2=CC=CC=C2)O

Isomeric SMILES

CCC(CC)[NH2+]C[C@@H](COC1=CC=CC=C1C2=CC=CC=C2)O

InChI

InChI=1S/C20H27NO2/c1-3-17(4-2)21-14-18(22)15-23-20-13-9-8-12-19(20)16-10-6-5-7-11-16/h5-13,17-18,21-22H,3-4,14-15H2,1-2H3/p+1/t18-/m0/s1