3-[2-azanyl-3-(2-methoxyethoxycarbonyl)pyrrolo[2,3-b]quinoxalin-9-ium-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-azanyl-3-(2-methoxyethoxycarbonyl)pyrrolo[2,3-b]quinoxalin-9-ium-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-amino-3-(2-methoxyethoxycarbonyl)pyrrolo[2,3-b]quinoxalin-9-ium-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-amino-3-[2-methoxyethoxy(oxo)methyl]-1-pyrrolo[2,3-b]quinoxalin-9-iumyl]propyl-dimethylammonium IUPAC Name: 3-[2-amino-3-(2-methoxyethoxycarbonyl)pyrrolo[2,3-b]quinoxalin-9-ium-1-yl]propyl-dimethylazanium Traditional Name: 3-[2-amino-3-(2-methoxyethoxycarbonyl)pyrrolo[2,3-b]quinoxalin-9-ium-1-yl]propyl-dimethyl-ammonium Formula: C19H27N5O3+2 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=C(C2=NC3=CC=CC=C3[NH+]=C21)C(=O)OCCOC)N

Isomeric SMILES

C[NH+](C)CCCN1C(=C(C2=NC3=CC=CC=C3[NH+]=C21)C(=O)OCCOC)N

InChI

InChI=1S/C19H25N5O3/c1-23(2)9-6-10-24-17(20)15(19(25)27-12-11-26-3)16-18(24)22-14-8-5-4-7-13(14)21-16/h4-5,7-8H,6,9-12,20H2,1-3H3/p+2