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

Systemtic Name: N-cyclopropyl-2-[4-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H30N5O2S+ MolecularWeight: 428.5709

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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)NC4CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)C

InChI

InChI=1S/C22H29N5O2S/c1-16-3-6-19(13-17(16)2)27-8-7-23-22(27)30-15-21(29)26-11-9-25(10-12-26)14-20(28)24-18-4-5-18/h3,6-8,13,18H,4-5,9-12,14-15H2,1-2H3,(H,24,28)/p+1