1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)ethanone Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C17H22N4O2S/c1-12-10-15(13(2)21(12)17-18-4-9-24-17)16(23)11-19-5-7-20(8-6-19)14(3)22/h4,9-10H,5-8,11H2,1-3H3/p+1