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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1C2=CC=CC=C2N=C(C1=O)C3=CN(C4=C3C=C(C=C4)OCC5=CC=CC=C5)CCC[NH3+]

Isomeric SMILES

CC(=O)[O-].CN1C2=CC=CC=C2N=C(C1=O)C3=CN(C4=C3C=C(C=C4)OCC5=CC=CC=C5)CCC[NH3+]

InChI

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