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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-[(2-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-benzyloxy-2-methoxy-phenyl)methyl]-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-benzoxy-2-methoxy-benzyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Formula: C25H27ClF3N3O2+2 MolecularWeight: 493.94899

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OCC2=CC=CC=C2)C[NH+]3CCN(CC3)C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)OCC2=CC=CC=C2)C[NH+]3CCN(CC3)C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

InChI

InChI=1S/C25H25ClF3N3O2/c1-33-23-14-21(34-17-18-5-3-2-4-6-18)8-7-19(23)16-31-9-11-32(12-10-31)24-22(26)13-20(15-30-24)25(27,28)29/h2-8,13-15H,9-12,16-17H2,1H3/p+2