[3-tert-butyl-5-[[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxidanyl-phenyl]-phenyl-methanone

Systemtic Name: [3-tert-butyl-5-[[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxidanyl-phenyl]-phenyl-methanone Openeye Name: [3-tert-butyl-4-hydroxy-5-[[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenyl]-phenyl-methanone CAS Name: [3-tert-butyl-4-hydroxy-5-[[1-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]phenyl]-phenylmethanone IUPAC Name: [3-tert-butyl-4-hydroxy-5-[[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenyl]-phenylmethanone Traditional Name: [3-tert-butyl-4-hydroxy-5-[[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenyl]-phenyl-methanone Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C[N+]2(CCNCC2)CCO)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C[N+]2(CCNCC2)CCO)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H32N2O3/c1-24(2,3)21-16-19(22(28)18-7-5-4-6-8-18)15-20(23(21)29)17-26(13-14-27)11-9-25-10-12-26/h4-8,15-16,25,27H,9-14,17H2,1-3H3/p+1