[(2S)-3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium

Systemtic Name: [(2S)-3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium Traditional Name: benzyl-[(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(C[NH2+]CC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC[C@H](C[NH2+]CC2=CC=CC=C2)O

InChI

InChI=1S/C20H27NO2/c1-15(2)19-10-9-16(3)11-20(19)23-14-18(22)13-21-12-17-7-5-4-6-8-17/h4-11,15,18,21-22H,12-14H2,1-3H3/p+1/t18-/m0/s1