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

Systemtic Name: [1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-1-yl)methanone Openeye Name: [1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-1-yl)methanone CAS Name: [1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-(4-ethyl-1-piperazinyl)methanone IUPAC Name: [1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-1-yl)methanone Traditional Name: [1-(3,5-ditert-butyl-4-hydroxy-benzyl)piperidin-1-ium-4-yl]-(4-ethylpiperazino)methanone Formula: C27H46N3O2+ MolecularWeight: 444.67304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C27H45N3O2/c1-8-28-13-15-30(16-14-28)25(32)21-9-11-29(12-10-21)19-20-17-22(26(2,3)4)24(31)23(18-20)27(5,6)7/h17-18,21,31H,8-16,19H2,1-7H3/p+1