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

Systemtic Name: 1-[5-chloranyl-3-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-[5-chloro-3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium CAS Name: 1-[5-chloro-3-(trifluoromethyl)-2-pyridin-1-iumyl]-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-[5-chloro-3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Traditional Name: 1-benzhydryl-4-[5-chloro-3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Formula: C23H23ClF3N3+2 MolecularWeight: 433.89703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=[NH+]C=C(C=C4C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=[NH+]C=C(C=C4C(F)(F)F)Cl

InChI

InChI=1S/C23H21ClF3N3/c24-19-15-20(23(25,26)27)22(28-16-19)30-13-11-29(12-14-30)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,21H,11-14H2/p+2