3-[3-(5-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)-6-phenylmethoxy-indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-(5-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)-6-phenylmethoxy-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[6-benzyloxy-3-(5-methyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(5-methyl-3-oxo-4H-quinoxalin-2-yl)-6-phenylmethoxy-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(5-methyl-3-oxo-4H-quinoxalin-2-yl)-6-phenylmethoxyindol-1-yl]propylazanium acetate Traditional Name: 3-[6-benzoxy-3-(3-keto-5-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=C2C(=CC=C1)N=C(C(=O)N2)C3=CN(C4=C3C=CC(=C4)OCC5=CC=CC=C5)CCC[NH3+].CC(=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(C(=O)N2)C3=CN(C4=C3C=CC(=C4)OCC5=CC=CC=C5)CCC[NH3+].CC(=O)[O-]

InChI

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