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

Systemtic Name: 2-[4-[(3,5-ditert-butyl-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(3,5-ditert-butyl-2-hydroxy-phenyl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-1-piperazin-4-iumyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(3,5-ditert-butyl-2-hydroxy-benzyl)piperazin-4-ium-1-yl]isonicotinonitrile Formula: C25H35N4O+ MolecularWeight: 407.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C[NH+]2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C[NH+]2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C25H34N4O/c1-24(2,3)20-14-19(23(30)21(15-20)25(4,5)6)17-28-9-11-29(12-10-28)22-13-18(16-26)7-8-27-22/h7-8,13-15,30H,9-12,17H2,1-6H3/p+1