methyl-[(2S)-2-oxidanyl-2-(4-propoxyphenyl)propyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-2-(4-propoxyphenyl)propyl]azanium Openeye Name: [(2S)-2-hydroxy-2-(4-propoxyphenyl)propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-2-(4-propoxyphenyl)propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-2-(4-propoxyphenyl)propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-2-(4-propoxyphenyl)propyl]-methyl-ammonium Formula: C13H22NO2+ MolecularWeight: 224.31928

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C)(C[NH2+]C)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@](C)(C[NH2+]C)O

InChI

InChI=1S/C13H21NO2/c1-4-9-16-12-7-5-11(6-8-12)13(2,15)10-14-3/h5-8,14-15H,4,9-10H2,1-3H3/p+1/t13-/m1/s1