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

Systemtic Name: N-cyclopropyl-2-[4-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H28N5O3S+ MolecularWeight: 430.54372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C21H27N5O3S/c1-29-18-6-4-17(5-7-18)26-9-8-22-21(26)30-15-20(28)25-12-10-24(11-13-25)14-19(27)23-16-2-3-16/h4-9,16H,2-3,10-15H2,1H3,(H,23,27)/p+1