5-nitro-1-(phenylmethyl)quinolin-1-ium

Systemtic Name: 5-nitro-1-(phenylmethyl)quinolin-1-ium Openeye Name: 1-benzyl-5-nitro-quinolin-1-ium CAS Name: 5-nitro-1-(phenylmethyl)quinolin-1-ium IUPAC Name: 1-benzyl-5-nitroquinolin-1-ium Traditional Name: 1-benzyl-5-nitro-quinolin-1-ium Formula: C16H13N2O2+ MolecularWeight: 265.28662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC3=C2C=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC3=C2C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H13N2O2/c19-18(20)16-10-4-9-15-14(16)8-5-11-17(15)12-13-6-2-1-3-7-13/h1-11H,12H2/q+1