2-[4-(2-phenylmethoxyethyl)piperazin-4-ium-1-yl]ethyl 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: 2-[4-(2-phenylmethoxyethyl)piperazin-4-ium-1-yl]ethyl 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: 2-[4-(2-benzyloxyethyl)piperazin-4-ium-1-yl]ethyl 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid 2-[4-(2-phenylmethoxyethyl)-1-piperazin-4-iumyl]ethyl ester IUPAC Name: 2-[4-(2-phenylmethoxyethyl)piperazin-4-ium-1-yl]ethyl 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid 2-[4-(2-benzoxyethyl)piperazin-4-ium-1-yl]ethyl ester Formula: C29H35N2O4+ MolecularWeight: 475.5992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOCC2=CC=CC=C2)CCOC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CCOCC2=CC=CC=C2)CCOC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C29H34N2O4/c32-28(29(33,26-12-6-2-7-13-26)27-14-8-3-9-15-27)35-23-21-31-18-16-30(17-19-31)20-22-34-24-25-10-4-1-5-11-25/h1-15,33H,16-24H2/p+1