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

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 3-(benzenesulfonyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 3-(benzenesulfonyl)-1-[3-(4-morpholin-4-iumyl)propyl]-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 3-(benzenesulfonyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [3-besyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C23H26N5O3S+ MolecularWeight: 452.54924

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C23H25N5O3S/c24-22-21(32(29,30)17-7-2-1-3-8-17)20-23(26-19-10-5-4-9-18(19)25-20)28(22)12-6-11-27-13-15-31-16-14-27/h1-5,7-10H,6,11-16,24H2/p+1