ethyl 2-(1-benzofuran-2-ylcarbonylamino)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: ethyl 2-(1-benzofuran-2-ylcarbonylamino)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-(benzofuran-2-carbonylamino)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[2-benzofuranyl(oxo)methyl]amino]-1-[3-(4-morpholin-4-iumyl)propyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-benzofuran-2-carbonylamino)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-(benzofuran-2-carbonylamino)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C29H30N5O5+ MolecularWeight: 528.579

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC[NH+]4CCOCC4)NC(=O)C5=CC6=CC=CC=C6O5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC[NH+]4CCOCC4)NC(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C29H29N5O5/c1-2-38-29(36)24-25-27(31-21-10-5-4-9-20(21)30-25)34(13-7-12-33-14-16-37-17-15-33)26(24)32-28(35)23-18-19-8-3-6-11-22(19)39-23/h3-6,8-11,18H,2,7,12-17H2,1H3,(H,32,35)/p+1