3-nitro-7-(phenylmethyl)benzimidazolo[1,2-a]quinolin-12-ium chloride

Systemtic Name: 3-nitro-7-(phenylmethyl)benzimidazolo[1,2-a]quinolin-12-ium chloride Openeye Name: 7-benzyl-3-nitro-benzimidazolo[1,2-a]quinolin-12-ium chloride CAS Name: 3-nitro-7-(phenylmethyl)benzimidazolo[1,2-a]quinolin-12-ium chloride IUPAC Name: 7-benzyl-3-nitrobenzimidazolo[1,2-a]quinolin-12-ium chloride Traditional Name: 7-benzyl-3-nitro-benzimidazolo[1,2-a]quinolin-12-ium chloride Formula: C22H16ClN3O2 MolecularWeight: 389.83434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=[N+](C4=C(C=C3)C=C(C=C4)[N+](=O)[O-])C5=CC=CC=C52.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=[N+](C4=C(C=C3)C=C(C=C4)[N+](=O)[O-])C5=CC=CC=C52.[Cl-]

InChI

InChI=1S/C22H16N3O2.ClH/c26-25(27)18-11-12-19-17(14-18)10-13-22-23(15-16-6-2-1-3-7-16)20-8-4-5-9-21(20)24(19)22;/h1-14H,15H2;1H/q+1;/p-1