[(2S)-2-oxidanyl-3-(4-propylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [(2S)-2-oxidanyl-3-(4-propylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(4-propylphenoxy)propyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(4-propylphenoxy)propyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-propylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(4-propylphenoxy)propyl]-[(1R)-1-phenylethyl]ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(C[NH2+]C(C)C2=CC=CC=C2)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OC[C@H](C[NH2+][C@H](C)C2=CC=CC=C2)O

InChI

InChI=1S/C20H27NO2/c1-3-7-17-10-12-20(13-11-17)23-15-19(22)14-21-16(2)18-8-5-4-6-9-18/h4-6,8-13,16,19,21-22H,3,7,14-15H2,1-2H3/p+1/t16-,19+/m1/s1