[(2S)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [(2S)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [(2S)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [(2S)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-[(1R)-1-phenylethyl]ammonium Formula: C18H23ClNO2+ MolecularWeight: 320.83372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO2/c1-13-10-17(8-9-18(13)19)22-12-16(21)11-20-14(2)15-6-4-3-5-7-15/h3-10,14,16,20-21H,11-12H2,1-2H3/p+1/t14-,16+/m1/s1