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

Systemtic Name: 3-butoxypropyl-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[4-(2-fluorobenzyl)oxy-3-methoxy-benzyl]ammonium Formula: C22H31FNO3+ MolecularWeight: 376.484843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30FNO3/c1-3-4-13-26-14-7-12-24-16-18-10-11-21(22(15-18)25-2)27-17-19-8-5-6-9-20(19)23/h5-6,8-11,15,24H,3-4,7,12-14,16-17H2,1-2H3/p+1