2-[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(4-tert-butylphenyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-(4-tert-butylbenzyl)piperazin-4-ium-1-yl]phenol Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C21H28N2O/c1-21(2,3)18-10-8-17(9-11-18)16-22-12-14-23(15-13-22)19-6-4-5-7-20(19)24/h4-11,24H,12-16H2,1-3H3/p+1