[(2S)-2-(4-butoxyphenyl)-2-oxidanyl-propyl]-propyl-azanium

Systemtic Name: [(2S)-2-(4-butoxyphenyl)-2-oxidanyl-propyl]-propyl-azanium Openeye Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxy-propyl]-propyl-ammonium CAS Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxypropyl]-propylammonium IUPAC Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxypropyl]-propylazanium Traditional Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxy-propyl]-propyl-ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2/c1-4-6-12-19-15-9-7-14(8-10-15)16(3,18)13-17-11-5-2/h7-10,17-18H,4-6,11-13H2,1-3H3/p+1/t16-/m1/s1