2-azaniumylethyl-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-propan-2-yl-azanium

Systemtic Name: 2-azaniumylethyl-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-propan-2-yl-azanium Openeye Name: 2-azaniumylethyl-[(2-chloro-6-fluoro-phenyl)methyl]-isopropyl-ammonium CAS Name: 2-ammonioethyl-[(2-chloro-6-fluorophenyl)methyl]-propan-2-ylammonium IUPAC Name: 2-azaniumylethyl-[(2-chloro-6-fluorophenyl)methyl]-propan-2-ylazanium Traditional Name: 2-ammonioethyl-(2-chloro-6-fluoro-benzyl)-isopropyl-ammonium Formula: C12H20ClFN2+2 MolecularWeight: 246.752003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC[NH3+])CC1=C(C=CC=C1Cl)F

Isomeric SMILES

CC(C)[NH+](CC[NH3+])CC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C12H18ClFN2/c1-9(2)16(7-6-15)8-10-11(13)4-3-5-12(10)14/h3-5,9H,6-8,15H2,1-2H3/p+2