[1-(4-hydroxyphenyl)-2-methyl-propan-2-yl]-[(2S)-3-(1H-indol-4-yloxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [1-(4-hydroxyphenyl)-2-methyl-propan-2-yl]-[(2S)-3-(1H-indol-4-yloxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-[2-(4-hydroxyphenyl)-1,1-dimethyl-ethyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]azanium Traditional Name: [(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-[2-(4-hydroxyphenyl)-1,1-dimethyl-ethyl]ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)O)[NH2+]CC(COC2=CC=CC3=C2C=CN3)O

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)O)[NH2+]C[C@@H](COC2=CC=CC3=C2C=CN3)O

InChI

InChI=1S/C21H26N2O3/c1-21(2,12-15-6-8-16(24)9-7-15)23-13-17(25)14-26-20-5-3-4-19-18(20)10-11-22-19/h3-11,17,22-25H,12-14H2,1-2H3/p+1/t17-/m0/s1