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

Systemtic Name: butyl-[(5-chloranyl-2-nitro-phenyl)methyl]-methyl-azanium Openeye Name: butyl-[(5-chloro-2-nitro-phenyl)methyl]-methyl-ammonium CAS Name: butyl-[(5-chloro-2-nitrophenyl)methyl]-methylammonium IUPAC Name: butyl-[(5-chloro-2-nitrophenyl)methyl]-methylazanium Traditional Name: butyl-(5-chloro-2-nitro-benzyl)-methyl-ammonium Formula: C12H18ClN2O2+ MolecularWeight: 257.73652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC[NH+](C)CC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H17ClN2O2/c1-3-4-7-14(2)9-10-8-11(13)5-6-12(10)15(16)17/h5-6,8H,3-4,7,9H2,1-2H3/p+1