butyl-[(4R)-1-[2-(4-fluoranylphenoxy)ethyl]-7-oxidanylidene-azepan-4-yl]-methyl-azanium

Systemtic Name: butyl-[(4R)-1-[2-(4-fluoranylphenoxy)ethyl]-7-oxidanylidene-azepan-4-yl]-methyl-azanium Openeye Name: butyl-[(4R)-1-[2-(4-fluorophenoxy)ethyl]-7-oxo-azepan-4-yl]-methyl-ammonium CAS Name: butyl-[(4R)-1-[2-(4-fluorophenoxy)ethyl]-7-oxo-4-azepanyl]-methylammonium IUPAC Name: butyl-[(4R)-1-[2-(4-fluorophenoxy)ethyl]-7-oxoazepan-4-yl]-methylazanium Traditional Name: butyl-[(4R)-1-[2-(4-fluorophenoxy)ethyl]-7-keto-azepan-4-yl]-methyl-ammonium Formula: C19H30FN2O2+ MolecularWeight: 337.452103

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C1CCC(=O)N(CC1)CCOC2=CC=C(C=C2)F

Isomeric SMILES

CCCC[NH+](C)[C@@H]1CCC(=O)N(CC1)CCOC2=CC=C(C=C2)F

InChI

InChI=1S/C19H29FN2O2/c1-3-4-12-21(2)17-7-10-19(23)22(13-11-17)14-15-24-18-8-5-16(20)6-9-18/h5-6,8-9,17H,3-4,7,10-15H2,1-2H3/p+1/t17-/m1/s1