4-[(4-chloranyl-2,6-dinitro-phenyl)methyl]-1-propyl-quinolin-1-ium

Systemtic Name: 4-[(4-chloranyl-2,6-dinitro-phenyl)methyl]-1-propyl-quinolin-1-ium Openeye Name: 4-[(4-chloro-2,6-dinitro-phenyl)methyl]-1-propyl-quinolin-1-ium CAS Name: 4-[(4-chloro-2,6-dinitrophenyl)methyl]-1-propylquinolin-1-ium IUPAC Name: 4-[(4-chloro-2,6-dinitrophenyl)methyl]-1-propylquinolin-1-ium Traditional Name: 4-(4-chloro-2,6-dinitro-benzyl)-1-propyl-quinolin-1-ium Formula: C19H17ClN3O4+ MolecularWeight: 386.80898

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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-])Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN3O4/c1-2-8-21-9-7-13(15-5-3-4-6-17(15)21)10-16-18(22(24)25)11-14(20)12-19(16)23(26)27/h3-7,9,11-12H,2,8,10H2,1H3/q+1