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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(C)(C[NH2+]CCC)O

Isomeric SMILES

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

InChI

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