[(2S)-3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [(2S)-3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-[(1R)-1-phenylethyl]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[NH2+]C(C)C2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2/c1-15(2)20-11-10-16(3)12-21(20)24-14-19(23)13-22-17(4)18-8-6-5-7-9-18/h5-12,15,17,19,22-23H,13-14H2,1-4H3/p+1/t17-,19+/m1/s1