1-(2-morpholin-4-ium-4-ylethyl)-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 3-(benzenesulfonyl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 3-(benzenesulfonyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 3-(benzenesulfonyl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [3-besyl-1-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C22H24N5O3S+ MolecularWeight: 438.52266

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N

Isomeric SMILES

C1COCC[NH+]1CCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C22H23N5O3S/c23-21-20(31(28,29)16-6-2-1-3-7-16)19-22(25-18-9-5-4-8-17(18)24-19)27(21)11-10-26-12-14-30-15-13-26/h1-9H,10-15,23H2/p+1