2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-[(2R)-1-(4-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C21H33FN4O2+2 MolecularWeight: 392.510723

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[NH+]1CCCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=C(C=C3)F

Isomeric SMILES

CN(CCC[NH+]1CCCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H31FN4O2/c1-24(10-4-13-25-11-2-3-12-25)20(27)15-19-21(28)23-9-14-26(19)16-17-5-7-18(22)8-6-17/h5-8,19H,2-4,9-16H2,1H3,(H,23,28)/p+2/t19-/m1/s1