tert-butyl-[3-[(3-methyl-1H-indol-4-yl)oxy]-2-(phenylcarbonyloxy)propyl]azanium chloride

Systemtic Name: tert-butyl-[3-[(3-methyl-1H-indol-4-yl)oxy]-2-(phenylcarbonyloxy)propyl]azanium chloride Openeye Name: [2-benzoyloxy-3-[(3-methyl-1H-indol-4-yl)oxy]propyl]-tert-butyl-ammonium chloride CAS Name: [2-benzoyloxy-3-[(3-methyl-1H-indol-4-yl)oxy]propyl]-tert-butylammonium chloride IUPAC Name: [2-benzoyloxy-3-[(3-methyl-1H-indol-4-yl)oxy]propyl]-tert-butylazanium chloride Traditional Name: [2-benzoyloxy-3-[(3-methyl-1H-indol-4-yl)oxy]propyl]-tert-butyl-ammonium chloride Formula: C23H29ClN2O3 MolecularWeight: 416.94096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC2=C1C(=CC=C2)OCC(C[NH2+]C(C)(C)C)OC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CNC2=C1C(=CC=C2)OCC(C[NH2+]C(C)(C)C)OC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H28N2O3.ClH/c1-16-13-24-19-11-8-12-20(21(16)19)27-15-18(14-25-23(2,3)4)28-22(26)17-9-6-5-7-10-17;/h5-13,18,24-25H,14-15H2,1-4H3;1H