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

Systemtic Name: [(2S)-2-(2-butoxyphenyl)-2-oxidanyl-propyl]-(2-methoxyethyl)azanium Openeye Name: [(2S)-2-(2-butoxyphenyl)-2-hydroxy-propyl]-(2-methoxyethyl)ammonium CAS Name: [(2S)-2-(2-butoxyphenyl)-2-hydroxypropyl]-(2-methoxyethyl)ammonium IUPAC Name: [(2S)-2-(2-butoxyphenyl)-2-hydroxypropyl]-(2-methoxyethyl)azanium Traditional Name: [(2S)-2-(2-butoxyphenyl)-2-hydroxy-propyl]-(2-methoxyethyl)ammonium Formula: C16H28NO3+ MolecularWeight: 282.39842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO3/c1-4-5-11-20-15-9-7-6-8-14(15)16(2,18)13-17-10-12-19-3/h6-9,17-18H,4-5,10-13H2,1-3H3/p+1/t16-/m1/s1