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

Systemtic Name: methyl-[(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]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-methylazanium Traditional Name: benzyl-[(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-methyl-ammonium Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2/c1-16(2)20-11-10-17(3)12-21(20)24-15-19(23)14-22(4)13-18-8-6-5-7-9-18/h5-12,16,19,23H,13-15H2,1-4H3/p+1/t19-/m0/s1