3-[3-(4,7-dimethyl-3-oxidanylidene-quinoxalin-2-yl)-6-phenylmethoxy-indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-(4,7-dimethyl-3-oxidanylidene-quinoxalin-2-yl)-6-phenylmethoxy-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[6-benzyloxy-3-(4,7-dimethyl-3-oxo-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(4,7-dimethyl-3-oxo-2-quinoxalinyl)-6-phenylmethoxy-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-6-phenylmethoxyindol-1-yl]propylazanium acetate Traditional Name: 3-[6-benzoxy-3-(3-keto-4,7-dimethyl-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C30H32N4O4 MolecularWeight: 512.59948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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