1-adamantylmethyl-[(4R)-1-[(2-fluorophenyl)methyl]-7-oxidanylidene-azepan-4-yl]-methyl-azanium

Systemtic Name: 1-adamantylmethyl-[(4R)-1-[(2-fluorophenyl)methyl]-7-oxidanylidene-azepan-4-yl]-methyl-azanium Openeye Name: 1-adamantylmethyl-[(4R)-1-[(2-fluorophenyl)methyl]-7-oxo-azepan-4-yl]-methyl-ammonium CAS Name: 1-adamantylmethyl-[(4R)-1-[(2-fluorophenyl)methyl]-7-oxo-4-azepanyl]-methylammonium IUPAC Name: 1-adamantylmethyl-[(4R)-1-[(2-fluorophenyl)methyl]-7-oxoazepan-4-yl]-methylazanium Traditional Name: 1-adamantylmethyl-[(4R)-1-(2-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=CC=C5F

Isomeric SMILES

C[NH+](CC12CC3CC(C1)CC(C3)C2)[C@@H]4CCC(=O)N(CC4)CC5=CC=CC=C5F

InChI

InChI=1S/C25H35FN2O/c1-27(17-25-13-18-10-19(14-25)12-20(11-18)15-25)22-6-7-24(29)28(9-8-22)16-21-4-2-3-5-23(21)26/h2-5,18-20,22H,6-17H2,1H3/p+1/t18?,19?,20?,22-,25?/m1/s1