[(2S)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: [(2S)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: [(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]ammonium Formula: C18H32NO2+ MolecularWeight: 294.45218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(C[NH2+]C(C)CCC(C)C)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC[C@H](C[NH2+][C@@H](C)CCC(C)C)O)C

InChI

InChI=1S/C18H31NO2/c1-13(2)6-7-16(5)19-11-17(20)12-21-18-9-14(3)8-15(4)10-18/h8-10,13,16-17,19-20H,6-7,11-12H2,1-5H3/p+1/t16-,17-/m0/s1