(2-chloranyl-5-nitro-phenyl)methyl-[(2-cyanophenyl)methyl]-methyl-azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-[(2-cyanophenyl)methyl]-methyl-azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-[(2-cyanophenyl)methyl]-methyl-ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-[(2-cyanophenyl)methyl]-methylammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-[(2-cyanophenyl)methyl]-methylazanium Traditional Name: (2-chloro-5-nitro-benzyl)-(2-cyanobenzyl)-methyl-ammonium Formula: C16H15ClN3O2+ MolecularWeight: 316.7622

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1C#N)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](CC1=CC=CC=C1C#N)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H14ClN3O2/c1-19(10-13-5-3-2-4-12(13)9-18)11-14-8-15(20(21)22)6-7-16(14)17/h2-8H,10-11H2,1H3/p+1