3-[3-[4-(2-hydroxyethyl)-3-oxidanylidene-quinoxalin-2-yl]indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-[4-(2-hydroxyethyl)-3-oxidanylidene-quinoxalin-2-yl]indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-[4-(2-hydroxyethyl)-3-oxo-quinoxalin-2-yl]indol-1-yl]propylammonium acetate CAS Name: 3-[3-[4-(2-hydroxyethyl)-3-oxo-2-quinoxalinyl]-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]indol-1-yl]propylazanium acetate Traditional Name: 3-[3-[4-(2-hydroxyethyl)-3-keto-quinoxalin-2-yl]indol-1-yl]propylammonium acetate Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=CC=CC=C4N(C3=O)CCO

Isomeric SMILES

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=CC=CC=C4N(C3=O)CCO

InChI

InChI=1S/C21H22N4O2.C2H4O2/c22-10-5-11-24-14-16(15-6-1-3-8-18(15)24)20-21(27)25(12-13-26)19-9-4-2-7-17(19)23-20;1-2(3)4/h1-4,6-9,14,26H,5,10-13,22H2;1H3,(H,3,4)