3-nitro-7-propan-2-yl-benzimidazolo[1,2-a]quinolin-12-ium chloride

Systemtic Name: 3-nitro-7-propan-2-yl-benzimidazolo[1,2-a]quinolin-12-ium chloride Openeye Name: 7-isopropyl-3-nitro-benzimidazolo[1,2-a]quinolin-12-ium chloride CAS Name: 3-nitro-7-propan-2-ylbenzimidazolo[1,2-a]quinolin-12-ium chloride IUPAC Name: 3-nitro-7-propan-2-ylbenzimidazolo[1,2-a]quinolin-12-ium chloride Traditional Name: 7-isopropyl-3-nitro-benzimidazolo[1,2-a]quinolin-12-ium chloride Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=[N+](C3=C(C=C2)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C41.[Cl-]

Isomeric SMILES

CC(C)N1C2=[N+](C3=C(C=C2)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C41.[Cl-]

InChI

InChI=1S/C18H16N3O2.ClH/c1-12(2)19-16-5-3-4-6-17(16)20-15-9-8-14(21(22)23)11-13(15)7-10-18(19)20;/h3-12H,1-2H3;1H/q+1;/p-1