2-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(2-morpholin-4-ium-4-ylethyl)-N-piperonyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H27N6O4+ MolecularWeight: 475.51968

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC6=C(C=C5)OCO6)N

Isomeric SMILES

C1COCC[NH+]1CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC6=C(C=C5)OCO6)N

InChI

InChI=1S/C25H26N6O4/c26-23-21(25(32)27-14-16-5-6-19-20(13-16)35-15-34-19)22-24(29-18-4-2-1-3-17(18)28-22)31(23)8-7-30-9-11-33-12-10-30/h1-6,13H,7-12,14-15,26H2,(H,27,32)/p+1