2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C20H30FN4O2+ MolecularWeight: 377.476203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H29FN4O2/c21-17-6-5-7-18(14-17)22-19(26)15-23-10-12-24(13-11-23)16-20(27)25-8-3-1-2-4-9-25/h5-7,14H,1-4,8-13,15-16H2,(H,22,26)/p+1