4-(2-azanyl-3-ethoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)butyl-diethyl-azanium

Systemtic Name: 4-(2-azanyl-3-ethoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)butyl-diethyl-azanium Openeye Name: 4-(2-amino-3-ethoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)butyl-diethyl-ammonium CAS Name: 4-(2-amino-3-ethoxycarbonyl-1-pyrrolo[3,2-b]quinoxalinyl)butyl-diethylammonium IUPAC Name: 4-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)butyl-diethylazanium Traditional Name: 4-(2-amino-3-carbethoxy-pyrrolo[3,2-b]quinoxalin-1-yl)butyl-diethyl-ammonium Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)N

Isomeric SMILES

CC[NH+](CC)CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)N

InChI

InChI=1S/C21H29N5O2/c1-4-25(5-2)13-9-10-14-26-19(22)17(21(27)28-6-3)18-20(26)24-16-12-8-7-11-15(16)23-18/h7-8,11-12H,4-6,9-10,13-14,22H2,1-3H3/p+1