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

Systemtic Name: (4-tert-butylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H27N3OS/c1-15-21-18(14-25-15)13-22-9-11-23(12-10-22)19(24)16-5-7-17(8-6-16)20(2,3)4/h5-8,14H,9-13H2,1-4H3/p+1