(2-chloranyl-4-fluoranyl-phenyl)methyl-pentan-3-yl-azanium

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl-pentan-3-yl-azanium Openeye Name: (2-chloro-4-fluoro-phenyl)methyl-(1-ethylpropyl)ammonium CAS Name: (2-chloro-4-fluorophenyl)methyl-pentan-3-ylammonium IUPAC Name: (2-chloro-4-fluorophenyl)methyl-pentan-3-ylazanium Traditional Name: (2-chloro-4-fluoro-benzyl)-(1-ethylpropyl)ammonium Formula: C12H18ClFN+ MolecularWeight: 230.729423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CC1=C(C=C(C=C1)F)Cl

Isomeric SMILES

CCC(CC)[NH2+]CC1=C(C=C(C=C1)F)Cl

InChI

InChI=1S/C12H17ClFN/c1-3-11(4-2)15-8-9-5-6-10(14)7-12(9)13/h5-7,11,15H,3-4,8H2,1-2H3/p+1