[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-(3-ethoxypropyl)azanium

Systemtic Name: [4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-(3-ethoxypropyl)azanium Openeye Name: [4-[(2-chloro-6-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl-(3-ethoxypropyl)ammonium CAS Name: [4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(3-ethoxypropyl)ammonium IUPAC Name: [4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(3-ethoxypropyl)azanium Traditional Name: [4-(2-chloro-6-fluoro-benzyl)oxy-3-methoxy-benzyl]-(3-ethoxypropyl)ammonium Formula: C20H26ClFNO3+ MolecularWeight: 382.876743

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC[NH2+]CC1=CC(=C(C=C1)OCC2=C(C=CC=C2Cl)F)OC

Isomeric SMILES

CCOCCC[NH2+]CC1=CC(=C(C=C1)OCC2=C(C=CC=C2Cl)F)OC

InChI

InChI=1S/C20H25ClFNO3/c1-3-25-11-5-10-23-13-15-8-9-19(20(12-15)24-2)26-14-16-17(21)6-4-7-18(16)22/h4,6-9,12,23H,3,5,10-11,13-14H2,1-2H3/p+1