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

Systemtic Name: 3-butoxypropyl-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[2-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[2-(2-chloro-4-fluoro-benzyl)oxy-3-methoxy-benzyl]ammonium Formula: C22H30ClFNO3+ MolecularWeight: 410.929903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClFNO3/c1-3-4-12-27-13-6-11-25-15-17-7-5-8-21(26-2)22(17)28-16-18-9-10-19(24)14-20(18)23/h5,7-10,14,25H,3-4,6,11-13,15-16H2,1-2H3/p+1