1,3-bis(2-ethoxyethyl)-2-methyl-imidazo[4,5-b]quinoxalin-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 1,3-bis(2-ethoxyethyl)-2-methyl-imidazo[4,5-b]quinoxalin-3-ium; 4-methylbenzenesulfonate Openeye Name: 1,3-bis(2-ethoxyethyl)-2-methyl-imidazo[4,5-b]quinoxalin-3-ium; 4-methylbenzenesulfonate CAS Name: 1,3-bis(2-ethoxyethyl)-2-methylimidazo[4,5-b]quinoxalin-3-ium; 4-methylbenzenesulfonate IUPAC Name: 1,3-bis(2-ethoxyethyl)-2-methylimidazo[4,5-b]quinoxalin-3-ium; 4-methylbenzenesulfonate Traditional Name: 1,3-bis(2-ethoxyethyl)-2-methyl-imidazo[4,5-b]quinoxalin-3-ium tosylate Formula: C25H32N4O5S MolecularWeight: 500.61038

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=[N+](C2=NC3=CC=CC=C3N=C21)CCOCC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOCCN1C(=[N+](C2=NC3=CC=CC=C3N=C21)CCOCC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H25N4O2.C7H8O3S/c1-4-23-12-10-21-14(3)22(11-13-24-5-2)18-17(21)19-15-8-6-7-9-16(15)20-18;1-6-2-4-7(5-3-6)11(8,9)10/h6-9H,4-5,10-13H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1