2-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[2-[[1-(3-chlorophenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[2-[[1-(3-chlorophenyl)imidazol-2-yl]thio]acetyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C20H25ClN5O2S+ MolecularWeight: 434.9628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC=CN3C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC=CN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H24ClN5O2S/c21-15-2-1-3-17(12-15)26-7-6-22-20(26)29-14-19(28)25-10-8-24(9-11-25)13-18(27)23-16-4-5-16/h1-3,6-7,12,16H,4-5,8-11,13-14H2,(H,23,27)/p+1