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

Systemtic Name: 3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-(2-fluorophenyl)propanamide Openeye Name: 3-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-N-(2-fluorophenyl)propanamide CAS Name: 3-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-N-(2-fluorophenyl)propanamide IUPAC Name: 3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-N-(2-fluorophenyl)propanamide Traditional Name: 3-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-N-(2-fluorophenyl)propionamide Formula: C21H32FN4O2+ MolecularWeight: 391.502783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)CCC(=O)NC3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)CCC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C21H31FN4O2/c22-18-7-3-4-8-19(18)23-20(27)9-12-24-13-15-25(16-14-24)17-21(28)26-10-5-1-2-6-11-26/h3-4,7-8H,1-2,5-6,9-17H2,(H,23,27)/p+1