3-butoxypropyl-[[3-chloranyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]azanium

Systemtic Name: 3-butoxypropyl-[[3-chloranyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[3-chloro-4-(2-fluorobenzyl)oxy-5-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)Cl)OCC2=CC=CC=C2F)OC

Isomeric SMILES

CCCCOCCC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2F)OC

InChI

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