[2-[[(2-chloranyl-4-nitro-phenyl)amino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[(2-chloranyl-4-nitro-phenyl)amino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[(2-chloro-4-nitro-anilino)methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[(2-chloro-4-nitroanilino)methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[(2-chloro-4-nitroanilino)methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[(2-chloro-4-nitro-anilino)methyl]benzyl]-dimethyl-ammonium Formula: C16H19ClN3O2+ MolecularWeight: 320.79396

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H18ClN3O2/c1-19(2)11-13-6-4-3-5-12(13)10-18-16-8-7-14(20(21)22)9-15(16)17/h3-9,18H,10-11H2,1-2H3/p+1