[2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-hexyl-azanium

Systemtic Name: [2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-hexyl-azanium Openeye Name: [2-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl-hexyl-ammonium CAS Name: [2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-hexylammonium IUPAC Name: [2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-hexylazanium Traditional Name: [2-(2-chloro-4-fluoro-benzyl)oxy-3-methoxy-benzyl]-hexyl-ammonium Formula: C21H28ClFNO2+ MolecularWeight: 380.903923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC1=C(C(=CC=C1)OC)OCC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CCCCCC[NH2+]CC1=C(C(=CC=C1)OC)OCC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C21H27ClFNO2/c1-3-4-5-6-12-24-14-16-8-7-9-20(25-2)21(16)26-15-17-10-11-18(23)13-19(17)22/h7-11,13,24H,3-6,12,14-15H2,1-2H3/p+1