2-hydroxyethyl-[3-[2-(1H-indol-4-ylcarbamoyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: 2-hydroxyethyl-[3-[2-(1H-indol-4-ylcarbamoyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: 2-hydroxyethyl-[2-hydroxy-3-[2-(1H-indol-4-ylcarbamoyl)phenoxy]propyl]-dimethyl-ammonium CAS Name: 2-hydroxyethyl-[2-hydroxy-3-[2-[(1H-indol-4-ylamino)-oxomethyl]phenoxy]propyl]-dimethylammonium IUPAC Name: 2-hydroxyethyl-[2-hydroxy-3-[2-(1H-indol-4-ylcarbamoyl)phenoxy]propyl]-dimethylazanium Traditional Name: 2-hydroxyethyl-[2-hydroxy-3-[2-(1H-indol-4-ylcarbamoyl)phenoxy]propyl]-dimethyl-ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCO)CC(COC1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CN3)O

Isomeric SMILES

C[N+](C)(CCO)CC(COC1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CN3)O

InChI

InChI=1S/C22H27N3O4/c1-25(2,12-13-26)14-16(27)15-29-21-9-4-3-6-18(21)22(28)24-20-8-5-7-19-17(20)10-11-23-19/h3-11,16,23,26-27H,12-15H2,1-2H3/p+1