(3,5-ditert-butyl-4-oxidanyl-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C24H34N3O2+ MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C24H33N3O2/c1-23(2,3)19-15-17(16-20(21(19)28)24(4,5)6)22(29)27-13-11-26(12-14-27)18-7-9-25-10-8-18/h7-10,15-16,28H,11-14H2,1-6H3/p+1