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

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [4-(2-chloro-4-fluoro-benzyl)oxy-3-methoxy-benzyl]-(3-isopropoxypropyl)ammonium Formula: C21H28ClFNO3+ MolecularWeight: 396.903323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClFNO3/c1-15(2)26-10-4-9-24-13-16-5-8-20(21(11-16)25-3)27-14-17-6-7-18(23)12-19(17)22/h5-8,11-12,15,24H,4,9-10,13-14H2,1-3H3/p+1