2-azanyl-1-[3-[3,5-bis(trifluoromethyl)phenyl]carbonyl-2-(3-hydroxyphenyl)-1-(phenylmethyl)-1-piperidin-4-yl-piperazin-1-ium-2-yl]ethanone

Systemtic Name: 2-azanyl-1-[3-[3,5-bis(trifluoromethyl)phenyl]carbonyl-2-(3-hydroxyphenyl)-1-(phenylmethyl)-1-piperidin-4-yl-piperazin-1-ium-2-yl]ethanone Openeye Name: 2-amino-1-[1-benzyl-3-[3,5-bis(trifluoromethyl)benzoyl]-2-(3-hydroxyphenyl)-1-(4-piperidyl)piperazin-1-ium-2-yl]ethanone CAS Name: 2-amino-1-[3-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-2-(3-hydroxyphenyl)-1-(phenylmethyl)-1-(4-piperidinyl)-2-piperazin-1-iumyl]ethanone IUPAC Name: 2-amino-1-[1-benzyl-3-[3,5-bis(trifluoromethyl)benzoyl]-2-(3-hydroxyphenyl)-1-piperidin-4-ylpiperazin-1-ium-2-yl]ethanone Traditional Name: 2-amino-1-[1-benzyl-3-[3,5-bis(trifluoromethyl)benzoyl]-2-(3-hydroxyphenyl)-1-(4-piperidyl)piperazin-1-ium-2-yl]ethanone Formula: C33H35F6N4O3+ MolecularWeight: 649.646419

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1[N+]2(CCNC(C2(C3=CC(=CC=C3)O)C(=O)CN)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)CC5=CC=CC=C5

Isomeric SMILES

C1CNCCC1[N+]2(CCNC(C2(C3=CC(=CC=C3)O)C(=O)CN)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)CC5=CC=CC=C5

InChI

InChI=1S/C33H34F6N4O3/c34-32(35,36)24-15-22(16-25(17-24)33(37,38)39)29(46)30-31(28(45)19-40,23-7-4-8-27(44)18-23)43(14-13-42-30,26-9-11-41-12-10-26)20-21-5-2-1-3-6-21/h1-8,15-18,26,30,41-42H,9-14,19-20,40H2/p+1