4-[(2,4-dinitronaphthalen-1-yl)methyl]-1-ethyl-quinolin-1-ium chloride

Systemtic Name: 4-[(2,4-dinitronaphthalen-1-yl)methyl]-1-ethyl-quinolin-1-ium chloride Openeye Name: 4-[(2,4-dinitro-1-naphthyl)methyl]-1-ethyl-quinolin-1-ium chloride CAS Name: 4-[(2,4-dinitro-1-naphthalenyl)methyl]-1-ethylquinolin-1-ium chloride IUPAC Name: 4-[(2,4-dinitronaphthalen-1-yl)methyl]-1-ethylquinolin-1-ium chloride Traditional Name: 4-[(2,4-dinitro-1-naphthyl)methyl]-1-ethyl-quinolin-1-ium chloride Formula: C22H18ClN3O4 MolecularWeight: 423.84902

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C2=CC=CC=C21)CC3=C(C=C(C4=CC=CC=C43)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC[N+]1=CC=C(C2=CC=CC=C21)CC3=C(C=C(C4=CC=CC=C43)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C22H18N3O4.ClH/c1-2-23-12-11-15(16-7-5-6-10-20(16)23)13-19-17-8-3-4-9-18(17)21(24(26)27)14-22(19)25(28)29;/h3-12,14H,2,13H2,1H3;1H/q+1;/p-1