2-[4-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C22H32N5O2S+ MolecularWeight: 430.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC(=O)NC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC(=O)NC(C)C)C

InChI

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