N-tert-butyl-2-[4-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H32N5O3S+ MolecularWeight: 446.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H31N5O3S/c1-22(2,3)24-19(28)15-25-10-12-26(13-11-25)20(29)16-31-21-23-8-9-27(21)17-6-5-7-18(14-17)30-4/h5-9,14H,10-13,15-16H2,1-4H3,(H,24,28)/p+1