7-ethylacenaphthyleno[1,2-b]quinoxalin-7-ium; 4-methylbenzenesulfonate

Systemtic Name: 7-ethylacenaphthyleno[1,2-b]quinoxalin-7-ium; 4-methylbenzenesulfonate Openeye Name: 7-ethylacenaphthyleno[1,2-b]quinoxalin-7-ium; 4-methylbenzenesulfonate CAS Name: 7-ethylacenaphthyleno[1,2-b]quinoxalin-7-ium; 4-methylbenzenesulfonate IUPAC Name: 7-ethylacenaphthyleno[1,2-b]quinoxalin-7-ium; 4-methylbenzenesulfonate Traditional Name: 7-ethylacenaphtho[1,2-b]quinoxalin-7-ium tosylate Formula: C27H22N2O3S MolecularWeight: 454.54018

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C3=CC=CC4=C3C(=CC=C4)C2=NC5=CC=CC=C51.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C2C3=CC=CC4=C3C(=CC=C4)C2=NC5=CC=CC=C51.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H15N2.C7H8O3S/c1-2-22-17-12-4-3-11-16(17)21-19-14-9-5-7-13-8-6-10-15(18(13)14)20(19)22;1-6-2-4-7(5-3-6)11(8,9)10/h3-12H,2H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1