2-[(2-chloranyl-5-nitro-phenyl)methyl]isoquinolin-2-ium

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl]isoquinolin-2-ium Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methyl]isoquinolin-2-ium CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl]isoquinolin-2-ium IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl]isoquinolin-2-ium Traditional Name: 2-(2-chloro-5-nitro-benzyl)isoquinolin-2-ium Formula: C16H12ClN2O2+ MolecularWeight: 299.73168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12ClN2O2/c17-16-6-5-15(19(20)21)9-14(16)11-18-8-7-12-3-1-2-4-13(12)10-18/h1-10H,11H2/q+1