3-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)-6-phenylmethoxy-indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)-6-phenylmethoxy-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[6-benzyloxy-3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(3-oxo-4H-quinoxalin-2-yl)-6-phenylmethoxy-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(3-oxo-4H-quinoxalin-2-yl)-6-phenylmethoxyindol-1-yl]propylazanium acetate Traditional Name: 3-[6-benzoxy-3-(3-keto-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CN3CCC[NH3+])C4=NC5=CC=CC=C5NC4=O

Isomeric SMILES

CC(=O)[O-].C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CN3CCC[NH3+])C4=NC5=CC=CC=C5NC4=O

InChI

InChI=1S/C26H24N4O2.C2H4O2/c27-13-6-14-30-16-21(25-26(31)29-23-10-5-4-9-22(23)28-25)20-12-11-19(15-24(20)30)32-17-18-7-2-1-3-8-18;1-2(3)4/h1-5,7-12,15-16H,6,13-14,17,27H2,(H,29,31);1H3,(H,3,4)