2-azanyl-N-(2-morpholin-4-ium-4-ylethyl)-1-pentyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-(2-morpholin-4-ium-4-ylethyl)-1-pentyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-(2-morpholin-4-ium-4-ylethyl)-1-pentyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-[2-(4-morpholin-4-iumyl)ethyl]-1-pentyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-(2-morpholin-4-ium-4-ylethyl)-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-amyl-N-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H31N6O2+ MolecularWeight: 411.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC[NH+]4CCOCC4)N

Isomeric SMILES

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC[NH+]4CCOCC4)N

InChI

InChI=1S/C22H30N6O2/c1-2-3-6-10-28-20(23)18(22(29)24-9-11-27-12-14-30-15-13-27)19-21(28)26-17-8-5-4-7-16(17)25-19/h4-5,7-8H,2-3,6,9-15,23H2,1H3,(H,24,29)/p+1