N-(1-adamantylmethyl)-2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C30H38F2N3O+ MolecularWeight: 494.639026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC23CC4CC(C2)CC(C4)C3)C(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC23CC4CC(C2)CC(C4)C3)C(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F

InChI

InChI=1S/C30H37F2N3O/c31-26-5-1-24(2-6-26)29(25-3-7-27(32)8-4-25)35-11-9-34(10-12-35)19-28(36)33-20-30-16-21-13-22(17-30)15-23(14-21)18-30/h1-8,21-23,29H,9-20H2,(H,33,36)/p+1