3-[3-(7-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)-5-phenylmethoxy-indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-(7-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)-5-phenylmethoxy-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[5-benzyloxy-3-(7-methyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(7-methyl-3-oxo-4H-quinoxalin-2-yl)-5-phenylmethoxy-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(7-methyl-3-oxo-4H-quinoxalin-2-yl)-5-phenylmethoxyindol-1-yl]propylazanium acetate Traditional Name: 3-[5-benzoxy-3-(3-keto-7-methyl-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=N2)C3=CN(C4=C3C=C(C=C4)OCC5=CC=CC=C5)CCC[NH3+].CC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=N2)C3=CN(C4=C3C=C(C=C4)OCC5=CC=CC=C5)CCC[NH3+].CC(=O)[O-]

InChI

InChI=1S/C27H26N4O2.C2H4O2/c1-18-8-10-23-24(14-18)29-26(27(32)30-23)22-16-31(13-5-12-28)25-11-9-20(15-21(22)25)33-17-19-6-3-2-4-7-19;1-2(3)4/h2-4,6-11,14-16H,5,12-13,17,28H2,1H3,(H,30,32);1H3,(H,3,4)