N-cyclopropyl-2-[4-[2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[2-[1-(3-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C23H30FN4O2+ MolecularWeight: 413.508303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)CN3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)CN3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C23H29FN4O2/c1-16-12-21(17(2)28(16)20-5-3-4-18(24)13-20)22(29)14-26-8-10-27(11-9-26)15-23(30)25-19-6-7-19/h3-5,12-13,19H,6-11,14-15H2,1-2H3,(H,25,30)/p+1