2-[4-(6-bromanyl-3-nitro-quinolin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(6-bromanyl-3-nitro-quinolin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(6-bromo-3-nitro-4-quinolyl)-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-(6-bromo-3-nitro-4-quinolinyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(6-bromo-3-nitroquinolin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(6-bromo-3-nitro-4-quinolyl)-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide Formula: C19H25BrN5O3+ MolecularWeight: 451.3375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=C3C=C(C=CC3=NC=C2[N+](=O)[O-])Br

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=C3C=C(C=CC3=NC=C2[N+](=O)[O-])Br

InChI

InChI=1S/C19H24BrN5O3/c1-13(2)22-18(26)12-23-6-3-7-24(9-8-23)19-15-10-14(20)4-5-16(15)21-11-17(19)25(27)28/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,22,26)/p+1