N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-2-[4-(2-keto-2-piperidino-ethyl)piperazin-1-ium-1-yl]acetamide Formula: C21H32FN4O2+ MolecularWeight: 391.502783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCCCC3)F

InChI

InChI=1S/C21H31FN4O2/c1-17-5-6-18(13-19(17)22)14-23-20(27)15-24-9-11-25(12-10-24)16-21(28)26-7-3-2-4-8-26/h5-6,13H,2-4,7-12,14-16H2,1H3,(H,23,27)/p+1