[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-[4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone

Systemtic Name: [3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-[4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone Openeye Name: (3,5-dichloro-1-hydroxy-pyridin-1-ium-4-yl)-[4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-1-piperidyl]methanone CAS Name: (3,5-dichloro-1-hydroxy-4-pyridin-1-iumyl)-[4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-piperazinyl]-1-piperidinyl]methanone IUPAC Name: (3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)-[4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone Traditional Name: (3,5-dichloro-1-hydroxy-pyridin-1-ium-4-yl)-[4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazino]piperidino]methanone Formula: C25H30Cl2F3N4O2+ MolecularWeight: 546.43251

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C)C2=CC=C(C=C2)C(F)(F)F)C3CCN(CC3)C(=O)C4=C(C=[N+](C=C4Cl)O)Cl

Isomeric SMILES

C[C@H]1CN(CCN1[C@@H](C)C2=CC=C(C=C2)C(F)(F)F)C3CCN(CC3)C(=O)C4=C(C=[N+](C=C4Cl)O)Cl

InChI

InChI=1S/C25H30Cl2F3N4O2/c1-16-13-32(11-12-34(16)17(2)18-3-5-19(6-4-18)25(28,29)30)20-7-9-31(10-8-20)24(35)23-21(26)14-33(36)15-22(23)27/h3-6,14-17,20,36H,7-13H2,1-2H3/q+1/t16-,17-/m0/s1