4-tert-butyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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