9-oxidanidyl-3-pentan-2-yloxy-3-(4-pentylphenyl)-1H-furo[3,4-b]quinoxalin-4-ium 4-oxide

Systemtic Name: 9-oxidanidyl-3-pentan-2-yloxy-3-(4-pentylphenyl)-1H-furo[3,4-b]quinoxalin-4-ium 4-oxide Openeye Name: 3-(1-methylbutoxy)-9-oxido-3-(4-pentylphenyl)-1H-furo[3,4-b]quinoxalin-4-ium 4-oxide CAS Name: 9-oxido-3-pentan-2-yloxy-3-(4-pentylphenyl)-1H-furo[3,4-b]quinoxalin-4-ium 4-oxide IUPAC Name: 9-oxido-3-pentan-2-yloxy-3-(4-pentylphenyl)-1H-furo[3,4-b]quinoxalin-4-ium 4-oxide Traditional Name: 3-(4-amylphenyl)-3-(1-methylbutoxy)-9-oxido-1H-furo[3,4-b]quinoxalin-4-ium 4-oxide Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2(C3=C(CO2)N(C4=CC=CC=C4[N+]3=O)[O-])OC(C)CCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2(C3=C(CO2)N(C4=CC=CC=C4[N+]3=O)[O-])OC(C)CCC

InChI

InChI=1S/C26H32N2O4/c1-4-6-7-11-20-14-16-21(17-15-20)26(32-19(3)10-5-2)25-24(18-31-26)27(29)22-12-8-9-13-23(22)28(25)30/h8-9,12-17,19H,4-7,10-11,18H2,1-3H3