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

Systemtic Name: [2-[[3-tert-butyl-4-(2-hydroxyethyl)-4-oxidanyl-piperazin-4-ium-1-yl]methyl]phenyl]-phenyl-methanone Openeye Name: [2-[[3-tert-butyl-4-hydroxy-4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenyl]-phenyl-methanone CAS Name: [2-[[3-tert-butyl-4-hydroxy-4-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]phenyl]-phenylmethanone IUPAC Name: [2-[[3-tert-butyl-4-hydroxy-4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenyl]-phenylmethanone Traditional Name: [2-[[3-tert-butyl-4-hydroxy-4-(2-hydroxyethyl)piperazin-4-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)C1CN(CC[N+]1(CCO)O)CC2=CC=CC=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1CN(CC[N+]1(CCO)O)CC2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H33N2O3/c1-24(2,3)22-18-25(13-14-26(22,29)15-16-27)17-20-11-7-8-12-21(20)23(28)19-9-5-4-6-10-19/h4-12,22,27,29H,13-18H2,1-3H3/q+1