3-[2-(4-chlorophenyl)-3-(7-methoxy-4-methyl-3-oxidanylidene-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[2-(4-chlorophenyl)-3-(7-methoxy-4-methyl-3-oxidanylidene-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[2-(4-chlorophenyl)-3-(7-methoxy-4-methyl-3-oxo-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[2-(4-chlorophenyl)-3-(7-methoxy-4-methyl-3-oxo-2-quinoxalinyl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[2-(4-chlorophenyl)-3-(7-methoxy-4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[2-(4-chlorophenyl)-3-(3-keto-7-methoxy-4-methyl-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C29H29ClN4O4 MolecularWeight: 533.01796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1C2=C(C=C(C=C2)OC)N=C(C1=O)C3=C(N(C4=CC=CC=C43)CCC[NH3+])C5=CC=C(C=C5)Cl

Isomeric SMILES

CC(=O)[O-].CN1C2=C(C=C(C=C2)OC)N=C(C1=O)C3=C(N(C4=CC=CC=C43)CCC[NH3+])C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H25ClN4O2.C2H4O2/c1-31-23-13-12-19(34-2)16-21(23)30-25(27(31)33)24-20-6-3-4-7-22(20)32(15-5-14-29)26(24)17-8-10-18(28)11-9-17;1-2(3)4/h3-4,6-13,16H,5,14-15,29H2,1-2H3;1H3,(H,3,4)