2-(4-tert-butylphenoxy)ethyl-[(2R)-3-carbazol-9-yl-2-oxidanyl-propyl]azanium

Systemtic Name: 2-(4-tert-butylphenoxy)ethyl-[(2R)-3-carbazol-9-yl-2-oxidanyl-propyl]azanium Openeye Name: 2-(4-tert-butylphenoxy)ethyl-[(2R)-3-carbazol-9-yl-2-hydroxy-propyl]ammonium CAS Name: 2-(4-tert-butylphenoxy)ethyl-[(2R)-3-(9-carbazolyl)-2-hydroxypropyl]ammonium IUPAC Name: 2-(4-tert-butylphenoxy)ethyl-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]azanium Traditional Name: 2-(4-tert-butylphenoxy)ethyl-[(2R)-3-carbazol-9-yl-2-hydroxy-propyl]ammonium Formula: C27H33N2O2+ MolecularWeight: 417.56312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC[NH2+]CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC[NH2+]C[C@H](CN2C3=CC=CC=C3C4=CC=CC=C42)O

InChI

InChI=1S/C27H32N2O2/c1-27(2,3)20-12-14-22(15-13-20)31-17-16-28-18-21(30)19-29-25-10-6-4-8-23(25)24-9-5-7-11-26(24)29/h4-15,21,28,30H,16-19H2,1-3H3/p+1/t21-/m1/s1