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

Systemtic Name: 2-[4-[2-[(4-fluoranyl-3-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[2-[(4-fluoro-3-methyl-phenyl)methylamino]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[2-[(4-fluoro-3-methyl-benzyl)amino]-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C19H28FN4O2+ MolecularWeight: 363.449623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)CN2CC[NH+](CC2)CC(=O)NCC=C)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)CN2CC[NH+](CC2)CC(=O)NCC=C)F

InChI

InChI=1S/C19H27FN4O2/c1-3-6-21-18(25)13-23-7-9-24(10-8-23)14-19(26)22-12-16-4-5-17(20)15(2)11-16/h3-5,11H,1,6-10,12-14H2,2H3,(H,21,25)(H,22,26)/p+1