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

Systemtic Name: 1-[4-[(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(3-tert-butyl-2-hydroxy-5-methoxy-benzyl)piperazin-4-ium-1-yl]ethanone Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC(=CC(=C2O)C(C)(C)C)OC

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC(=CC(=C2O)C(C)(C)C)OC

InChI

InChI=1S/C18H28N2O3/c1-13(21)20-8-6-19(7-9-20)12-14-10-15(23-5)11-16(17(14)22)18(2,3)4/h10-11,22H,6-9,12H2,1-5H3/p+1