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

Systemtic Name: 4-[(2,4-dinitrophenyl)methyl]-1-propyl-quinolin-1-ium chlorate Openeye Name: 4-[(2,4-dinitrophenyl)methyl]-1-propyl-quinolin-1-ium chlorate CAS Name: 4-[(2,4-dinitrophenyl)methyl]-1-propylquinolin-1-ium chlorate IUPAC Name: 4-[(2,4-dinitrophenyl)methyl]-1-propylquinolin-1-ium chlorate Traditional Name: 4-(2,4-dinitrobenzyl)-1-propyl-quinolin-1-ium chlorate Formula: C19H18ClN3O7 MolecularWeight: 435.81512

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=C(C2=CC=CC=C21)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[O-]Cl(=O)=O

Isomeric SMILES

CCC[N+]1=CC=C(C2=CC=CC=C21)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[O-]Cl(=O)=O

InChI

InChI=1S/C19H18N3O4.ClHO3/c1-2-10-20-11-9-14(17-5-3-4-6-18(17)20)12-15-7-8-16(21(23)24)13-19(15)22(25)26;2-1(3)4/h3-9,11,13H,2,10,12H2,1H3;(H,2,3,4)/q+1;/p-1