3-nitro-7-(phenylmethyl)-7a,11a-dihydrobenzimidazolo[1,2-a]quinolin-12-ium chloride

Systemtic Name: 3-nitro-7-(phenylmethyl)-7a,11a-dihydrobenzimidazolo[1,2-a]quinolin-12-ium chloride Openeye Name: 7-benzyl-3-nitro-7a,11a-dihydrobenzimidazolo[1,2-a]quinolin-12-ium chloride CAS Name: 3-nitro-7-(phenylmethyl)-7a,11a-dihydrobenzimidazolo[1,2-a]quinolin-12-ium chloride IUPAC Name: 7-benzyl-3-nitro-7a,11a-dihydrobenzimidazolo[1,2-a]quinolin-12-ium chloride Traditional Name: 7-benzyl-3-nitro-7a,11a-dihydrobenzimidazolo[1,2-a]quinolin-12-ium chloride Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3C=CC=CC3[N+]4=C2C=CC5=C4C=CC(=C5)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3C=CC=CC3[N+]4=C2C=CC5=C4C=CC(=C5)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C22H18N3O2.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;/h1-14,20-21H,15H2;1H/q+1;/p-1