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

Systemtic Name: 3-[3-[3-oxidanylidene-4-(phenylmethoxymethyl)quinoxalin-2-yl]indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-[4-(benzyloxymethyl)-3-oxo-quinoxalin-2-yl]indol-1-yl]propylammonium acetate CAS Name: 3-[3-[3-oxo-4-(phenylmethoxymethyl)-2-quinoxalinyl]-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-[3-oxo-4-(phenylmethoxymethyl)quinoxalin-2-yl]indol-1-yl]propylazanium acetate Traditional Name: 3-[3-[4-(benzoxymethyl)-3-keto-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-].C1=CC=C(C=C1)COCN2C3=CC=CC=C3N=C(C2=O)C4=CN(C5=CC=CC=C54)CCC[NH3+]

Isomeric SMILES

CC(=O)[O-].C1=CC=C(C=C1)COCN2C3=CC=CC=C3N=C(C2=O)C4=CN(C5=CC=CC=C54)CCC[NH3+]

InChI

InChI=1S/C27H26N4O2.C2H4O2/c28-15-8-16-30-17-22(21-11-4-6-13-24(21)30)26-27(32)31(25-14-7-5-12-23(25)29-26)19-33-18-20-9-2-1-3-10-20;1-2(3)4/h1-7,9-14,17H,8,15-16,18-19,28H2;1H3,(H,3,4)