(2S)-N-cyclopentyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclopentyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclopentyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclopentyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclopentyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclopentyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]propionamide Formula: C18H26F3N4O+ MolecularWeight: 371.42045

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NC1CCCC1)[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H25F3N4O/c1-13(17(26)23-15-4-2-3-5-15)24-8-10-25(11-9-24)16-7-6-14(12-22-16)18(19,20)21/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,23,26)/p+1/t13-/m0/s1