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

Systemtic Name: 3-nitro-7-(phenylmethyl)-7a,11a-dihydrobenzimidazolo[1,2-a]quinolin-12-ium Openeye Name: 7-benzyl-3-nitro-7a,11a-dihydrobenzimidazolo[1,2-a]quinolin-12-ium CAS Name: 3-nitro-7-(phenylmethyl)-7a,11a-dihydrobenzimidazolo[1,2-a]quinolin-12-ium IUPAC Name: 7-benzyl-3-nitro-7a,11a-dihydrobenzimidazolo[1,2-a]quinolin-12-ium Traditional Name: 7-benzyl-3-nitro-7a,11a-dihydrobenzimidazolo[1,2-a]quinolin-12-ium Formula: C22H18N3O2+ MolecularWeight: 356.39722

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C22H18N3O2/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/q+1