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

Systemtic Name: 3-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)-2-(phenylmethyl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[2-benzyl-3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylmethyl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[2-benzyl-3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[2-benzyl-3-(3-keto-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3N2CCC[NH3+])C4=NC5=CC=CC=C5NC4=O

Isomeric SMILES

CC(=O)[O-].C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3N2CCC[NH3+])C4=NC5=CC=CC=C5NC4=O

InChI

InChI=1S/C26H24N4O.C2H4O2/c27-15-8-16-30-22-14-7-4-11-19(22)24(23(30)17-18-9-2-1-3-10-18)25-26(31)29-21-13-6-5-12-20(21)28-25;1-2(3)4/h1-7,9-14H,8,15-17,27H2,(H,29,31);1H3,(H,3,4)