[(2S)-2-(3-butoxyphenyl)-2-oxidanyl-ethyl]-methyl-azanium

Systemtic Name: [(2S)-2-(3-butoxyphenyl)-2-oxidanyl-ethyl]-methyl-azanium Openeye Name: [(2S)-2-(3-butoxyphenyl)-2-hydroxy-ethyl]-methyl-ammonium CAS Name: [(2S)-2-(3-butoxyphenyl)-2-hydroxyethyl]-methylammonium IUPAC Name: [(2S)-2-(3-butoxyphenyl)-2-hydroxyethyl]-methylazanium Traditional Name: [(2S)-2-(3-butoxyphenyl)-2-hydroxy-ethyl]-methyl-ammonium Formula: C13H22NO2+ MolecularWeight: 224.31928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(C[NH2+]C)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)[C@@H](C[NH2+]C)O

InChI

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