2-[(2,4-dinitrophenyl)methyl]-1-methyl-quinolin-1-ium perchlorate

Systemtic Name: 2-[(2,4-dinitrophenyl)methyl]-1-methyl-quinolin-1-ium perchlorate Openeye Name: 2-[(2,4-dinitrophenyl)methyl]-1-methyl-quinolin-1-ium perchlorate CAS Name: 2-[(2,4-dinitrophenyl)methyl]-1-methylquinolin-1-ium perchlorate IUPAC Name: 2-[(2,4-dinitrophenyl)methyl]-1-methylquinolin-1-ium perchlorate Traditional Name: 2-(2,4-dinitrobenzyl)-1-methyl-quinolin-1-ium perchlorate Formula: C17H14ClN3O8 MolecularWeight: 423.76136

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H14N3O4.ClHO4/c1-18-14(8-6-12-4-2-3-5-16(12)18)10-13-7-9-15(19(21)22)11-17(13)20(23)24;2-1(3,4)5/h2-9,11H,10H2,1H3;(H,2,3,4,5)/q+1;/p-1