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

Systemtic Name: 3-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)-2-phenyl-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(3-oxo-4H-quinoxalin-2-yl)-2-phenyl-indol-1-yl]propylammonium acetate CAS Name: 3-[3-(3-oxo-4H-quinoxalin-2-yl)-2-phenyl-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(3-oxo-4H-quinoxalin-2-yl)-2-phenylindol-1-yl]propylazanium acetate Traditional Name: 3-[3-(3-keto-4H-quinoxalin-2-yl)-2-phenyl-indol-1-yl]propylammonium acetate Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2CCC[NH3+])C4=NC5=CC=CC=C5NC4=O

Isomeric SMILES

CC(=O)[O-].C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2CCC[NH3+])C4=NC5=CC=CC=C5NC4=O

InChI

InChI=1S/C25H22N4O.C2H4O2/c26-15-8-16-29-21-14-7-4-11-18(21)22(24(29)17-9-2-1-3-10-17)23-25(30)28-20-13-6-5-12-19(20)27-23;1-2(3)4/h1-7,9-14H,8,15-16,26H2,(H,28,30);1H3,(H,3,4)