2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[(2R)-1-(2-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C20H31FN4O2+2 MolecularWeight: 378.484143

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC[NH+]1CCCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3F

Isomeric SMILES

CN(CC[NH+]1CCCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3F

InChI

InChI=1S/C20H29FN4O2/c1-23(12-13-24-9-4-5-10-24)19(26)14-18-20(27)22-8-11-25(18)15-16-6-2-3-7-17(16)21/h2-3,6-7,18H,4-5,8-15H2,1H3,(H,22,27)/p+2/t18-/m1/s1