N-tert-butyl-2-[4-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[(1-methyl-5-phenyl-2-imidazolyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H32N5O2S+ MolecularWeight: 430.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C22H31N5O2S/c1-22(2,3)24-19(28)15-26-10-12-27(13-11-26)20(29)16-30-21-23-14-18(25(21)4)17-8-6-5-7-9-17/h5-9,14H,10-13,15-16H2,1-4H3,(H,24,28)/p+1