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

Systemtic Name: 1-adamantylmethyl-[(4S)-1-[2-(4-fluoranylphenoxy)ethyl]-7-oxidanylidene-azepan-4-yl]-methyl-azanium Openeye Name: 1-adamantylmethyl-[(4S)-1-[2-(4-fluorophenoxy)ethyl]-7-oxo-azepan-4-yl]-methyl-ammonium CAS Name: 1-adamantylmethyl-[(4S)-1-[2-(4-fluorophenoxy)ethyl]-7-oxo-4-azepanyl]-methylammonium IUPAC Name: 1-adamantylmethyl-[(4S)-1-[2-(4-fluorophenoxy)ethyl]-7-oxoazepan-4-yl]-methylazanium Traditional Name: 1-adamantylmethyl-[(4S)-1-[2-(4-fluorophenoxy)ethyl]-7-keto-azepan-4-yl]-methyl-ammonium Formula: C26H38FN2O2+ MolecularWeight: 429.590523

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC12CC3CC(C1)CC(C3)C2)C4CCC(=O)N(CC4)CCOC5=CC=C(C=C5)F

Isomeric SMILES

C[NH+](CC12CC3CC(C1)CC(C3)C2)[C@H]4CCC(=O)N(CC4)CCOC5=CC=C(C=C5)F

InChI

InChI=1S/C26H37FN2O2/c1-28(18-26-15-19-12-20(16-26)14-21(13-19)17-26)23-4-7-25(30)29(9-8-23)10-11-31-24-5-2-22(27)3-6-24/h2-3,5-6,19-21,23H,4,7-18H2,1H3/p+1/t19?,20?,21?,23-,26?/m0/s1