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

Systemtic Name: 7-butyl-3-nitro-benzimidazolo[1,2-a]quinolin-12-ium chloride Openeye Name: 7-butyl-3-nitro-benzimidazolo[1,2-a]quinolin-12-ium chloride CAS Name: 7-butyl-3-nitrobenzimidazolo[1,2-a]quinolin-12-ium chloride IUPAC Name: 7-butyl-3-nitrobenzimidazolo[1,2-a]quinolin-12-ium chloride Traditional Name: 7-butyl-3-nitro-benzimidazolo[1,2-a]quinolin-12-ium chloride Formula: C19H18ClN3O2 MolecularWeight: 355.81812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=[N+](C3=C(C=C2)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C41.[Cl-]

Isomeric SMILES

CCCCN1C2=[N+](C3=C(C=C2)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C41.[Cl-]

InChI

InChI=1S/C19H18N3O2.ClH/c1-2-3-12-20-17-6-4-5-7-18(17)21-16-10-9-15(22(23)24)13-14(16)8-11-19(20)21;/h4-11,13H,2-3,12H2,1H3;1H/q+1;/p-1