4-tert-butyl-2-methyl-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 4-tert-butyl-2-methyl-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 4-tert-butyl-2-methyl-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 4-tert-butyl-2-methyl-6-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-tert-butyl-2-methyl-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 4-tert-butyl-2-methyl-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Formula: C21H31N3O+2 MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)(C)C)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)(C)C)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O

InChI

InChI=1S/C21H29N3O/c1-16-13-18(21(2,3)4)14-17(20(16)25)15-23-9-11-24(12-10-23)19-7-5-6-8-22-19/h5-8,13-14,25H,9-12,15H2,1-4H3/p+2