cyclopropyl-[(2S)-2-[4-(2,6-dimethylphenoxy)phenyl]-2-oxidanyl-propyl]azanium

Systemtic Name: cyclopropyl-[(2S)-2-[4-(2,6-dimethylphenoxy)phenyl]-2-oxidanyl-propyl]azanium Openeye Name: cyclopropyl-[(2S)-2-[4-(2,6-dimethylphenoxy)phenyl]-2-hydroxy-propyl]ammonium CAS Name: cyclopropyl-[(2S)-2-[4-(2,6-dimethylphenoxy)phenyl]-2-hydroxypropyl]ammonium IUPAC Name: cyclopropyl-[(2S)-2-[4-(2,6-dimethylphenoxy)phenyl]-2-hydroxypropyl]azanium Traditional Name: cyclopropyl-[(2S)-2-[4-(2,6-dimethylphenoxy)phenyl]-2-hydroxy-propyl]ammonium Formula: C20H26NO2+ MolecularWeight: 312.42594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)C(C)(C[NH2+]C3CC3)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)[C@@](C)(C[NH2+]C3CC3)O

InChI

InChI=1S/C20H25NO2/c1-14-5-4-6-15(2)19(14)23-18-11-7-16(8-12-18)20(3,22)13-21-17-9-10-17/h4-8,11-12,17,21-22H,9-10,13H2,1-3H3/p+1/t20-/m1/s1