cyclopropyl-[(2S)-2-oxidanyl-2-[4-(2,4,6-trimethylphenoxy)phenyl]ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO2/c1-13-10-14(2)20(15(3)11-13)23-18-8-4-16(5-9-18)19(22)12-21-17-6-7-17/h4-5,8-11,17,19,21-22H,6-7,12H2,1-3H3/p+1/t19-/m1/s1