2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(2-tert-butylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(2-tert-butyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(2-tert-butylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenol Formula: C18H26N3OS+ MolecularWeight: 332.48354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CS1)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC(C)(C)C1=NC(=CS1)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C18H25N3OS/c1-18(2,3)17-19-14(13-23-17)12-20-8-10-21(11-9-20)15-6-4-5-7-16(15)22/h4-7,13,22H,8-12H2,1-3H3/p+1