2-[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]ethylazanium

Systemtic Name: 2-[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]ethylazanium Openeye Name: 2-[4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]piperazin-4-ium-1-yl]ethylammonium CAS Name: 2-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-piperazin-4-iumyl]ethylammonium IUPAC Name: 2-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperazin-4-ium-1-yl]ethylazanium Traditional Name: 2-[4-(3,5-ditert-butyl-4-hydroxy-benzyl)piperazin-4-ium-1-yl]ethylammonium Formula: C21H39N3O+2 MolecularWeight: 349.55386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCN(CC2)CC[NH3+]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCN(CC2)CC[NH3+]

InChI

InChI=1S/C21H37N3O/c1-20(2,3)17-13-16(14-18(19(17)25)21(4,5)6)15-24-11-9-23(8-7-22)10-12-24/h13-14,25H,7-12,15,22H2,1-6H3/p+2