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

Systemtic Name: [(2S)-2-(4-butoxyphenyl)-2-oxidanyl-propyl]-(2-methylpropyl)azanium Openeye Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxy-propyl]-isobutyl-ammonium CAS Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxypropyl]-(2-methylpropyl)ammonium IUPAC Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxypropyl]-(2-methylpropyl)azanium Traditional Name: [(2S)-2-(4-butoxyphenyl)-2-hydroxy-propyl]-isobutyl-ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2/c1-5-6-11-20-16-9-7-15(8-10-16)17(4,19)13-18-12-14(2)3/h7-10,14,18-19H,5-6,11-13H2,1-4H3/p+1/t17-/m1/s1