[1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperidin-1-yl)methanone

Systemtic Name: [1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperidin-1-yl)methanone Openeye Name: [1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-(4-methyl-1-piperidyl)methanone CAS Name: [1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-(4-methyl-1-piperidinyl)methanone IUPAC Name: [1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperidin-1-yl)methanone Traditional Name: [1-(3,5-ditert-butyl-4-hydroxy-benzyl)piperidin-1-ium-4-yl]-(4-methylpiperidino)methanone Formula: C27H45N2O2+ MolecularWeight: 429.6584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C27H44N2O2/c1-19-8-14-29(15-9-19)25(31)21-10-12-28(13-11-21)18-20-16-22(26(2,3)4)24(30)23(17-20)27(5,6)7/h16-17,19,21,30H,8-15,18H2,1-7H3/p+1