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

Systemtic Name: 3-butoxypropyl-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[4-[(2-chloro-6-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[4-(2-chloro-6-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=CC(=C(C=C1)OCC2=C(C=CC=C2Cl)F)OC

Isomeric SMILES

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

InChI

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