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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)F

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H29FN4O2/c21-17-6-4-5-16(13-17)15-25-12-8-23-20(27)18(25)14-19(26)22-7-11-24-9-2-1-3-10-24/h4-6,13,18H,1-3,7-12,14-15H2,(H,22,26)(H,23,27)/p+2/t18-/m1/s1