(3S)-1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-piperazin-4-ium

Systemtic Name: (3S)-1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-piperazin-4-ium Openeye Name: (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-3-methyl-piperazin-4-ium CAS Name: (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazin-4-ium IUPAC Name: (3S)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methylpiperazin-4-ium Traditional Name: (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-3-methyl-piperazin-4-ium Formula: C11H14ClF3N3+ MolecularWeight: 280.69717

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C11H13ClF3N3/c1-7-6-18(3-2-16-7)10-9(12)4-8(5-17-10)11(13,14)15/h4-5,7,16H,2-3,6H2,1H3/p+1/t7-/m0/s1