(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H23FN3O3+ MolecularWeight: 372.413323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=C(C=C2)F)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CC1NC(=O)[C@H](C2=CC=C(C=C2)F)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H22FN3O3/c21-15-5-3-14(4-6-15)18(19(25)22-16-7-8-16)23-9-11-24(12-10-23)20(26)17-2-1-13-27-17/h1-6,13,16,18H,7-12H2,(H,22,25)/p+1/t18-/m0/s1