6-azanylhexyl-[6,7-bis(chloranyl)-3-pyridin-2-yl-quinoxalin-2-yl]-dimethyl-azanium

Systemtic Name: 6-azanylhexyl-[6,7-bis(chloranyl)-3-pyridin-2-yl-quinoxalin-2-yl]-dimethyl-azanium Openeye Name: 6-aminohexyl-[6,7-dichloro-3-(2-pyridyl)quinoxalin-2-yl]-dimethyl-ammonium CAS Name: 6-aminohexyl-[6,7-dichloro-3-(2-pyridinyl)-2-quinoxalinyl]-dimethylammonium IUPAC Name: 6-aminohexyl-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-dimethylazanium Traditional Name: 6-aminohexyl-[6,7-dichloro-3-(2-pyridyl)quinoxalin-2-yl]-dimethyl-ammonium Formula: C21H26Cl2N5+ MolecularWeight: 419.37064

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCCN)C1=NC2=CC(=C(C=C2N=C1C3=CC=CC=N3)Cl)Cl

Isomeric SMILES

C[N+](C)(CCCCCCN)C1=NC2=CC(=C(C=C2N=C1C3=CC=CC=N3)Cl)Cl

InChI

InChI=1S/C21H26Cl2N5/c1-28(2,12-8-4-3-6-10-24)21-20(17-9-5-7-11-25-17)26-18-13-15(22)16(23)14-19(18)27-21/h5,7,9,11,13-14H,3-4,6,8,10,12,24H2,1-2H3/q+1