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

Systemtic Name: [2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [2-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [2-(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=C(C(=CC=C1)OC)OCC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClFNO3/c1-15(2)26-11-5-10-24-13-16-6-4-7-20(25-3)21(16)27-14-17-8-9-18(23)12-19(17)22/h4,6-9,12,15,24H,5,10-11,13-14H2,1-3H3/p+1