1-adamantylmethyl-[(4R)-1-[(4-fluorophenyl)methyl]-7-oxidanylidene-azepan-4-yl]-methyl-azanium

Systemtic Name: 1-adamantylmethyl-[(4R)-1-[(4-fluorophenyl)methyl]-7-oxidanylidene-azepan-4-yl]-methyl-azanium Openeye Name: 1-adamantylmethyl-[(4R)-1-[(4-fluorophenyl)methyl]-7-oxo-azepan-4-yl]-methyl-ammonium CAS Name: 1-adamantylmethyl-[(4R)-1-[(4-fluorophenyl)methyl]-7-oxo-4-azepanyl]-methylammonium IUPAC Name: 1-adamantylmethyl-[(4R)-1-[(4-fluorophenyl)methyl]-7-oxoazepan-4-yl]-methylazanium Traditional Name: 1-adamantylmethyl-[(4R)-1-(4-fluorobenzyl)-7-keto-azepan-4-yl]-methyl-ammonium Formula: C25H36FN2O+ MolecularWeight: 399.564543

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC12CC3CC(C1)CC(C3)C2)C4CCC(=O)N(CC4)CC5=CC=C(C=C5)F

Isomeric SMILES

C[NH+](CC12CC3CC(C1)CC(C3)C2)[C@@H]4CCC(=O)N(CC4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C25H35FN2O/c1-27(17-25-13-19-10-20(14-25)12-21(11-19)15-25)23-6-7-24(29)28(9-8-23)16-18-2-4-22(26)5-3-18/h2-5,19-21,23H,6-17H2,1H3/p+1/t19?,20?,21?,23-,25?/m1/s1