N-cycloheptyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cycloheptyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cycloheptyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cycloheptyl-2-[4-[(3-fluorophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cycloheptyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cycloheptyl-2-[4-(3-fluorobenzyl)piperazin-1-ium-1-yl]acetamide Formula: C20H31FN3O+ MolecularWeight: 348.478043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

C1CCCC(CC1)NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H30FN3O/c21-18-7-5-6-17(14-18)15-23-10-12-24(13-11-23)16-20(25)22-19-8-3-1-2-4-9-19/h5-7,14,19H,1-4,8-13,15-16H2,(H,22,25)/p+1