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

Systemtic Name: 3-[3-(4,5-dimethyl-3-oxidanylidene-quinoxalin-2-yl)-5-phenylmethoxy-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[5-benzyloxy-3-(4,5-dimethyl-3-oxo-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(4,5-dimethyl-3-oxo-2-quinoxalinyl)-5-phenylmethoxy-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(4,5-dimethyl-3-oxoquinoxalin-2-yl)-5-phenylmethoxyindol-1-yl]propylazanium acetate Traditional Name: 3-[5-benzoxy-3-(3-keto-4,5-dimethyl-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C30H32N4O4 MolecularWeight: 512.59948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(C(=O)N2C)C3=CN(C4=C3C=C(C=C4)OCC5=CC=CC=C5)CCC[NH3+].CC(=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(C(=O)N2C)C3=CN(C4=C3C=C(C=C4)OCC5=CC=CC=C5)CCC[NH3+].CC(=O)[O-]

InChI

InChI=1S/C28H28N4O2.C2H4O2/c1-19-8-6-11-24-27(19)31(2)28(33)26(30-24)23-17-32(15-7-14-29)25-13-12-21(16-22(23)25)34-18-20-9-4-3-5-10-20;1-2(3)4/h3-6,8-13,16-17H,7,14-15,18,29H2,1-2H3;1H3,(H,3,4)