4-[2-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-[2,5-dimethyl-1-(4-methyl-2-thiazolyl)-3-pyrrolyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]-2-keto-ethyl]piperazin-4-ium-2-one Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC(=CS2)C)C)C(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(N1C2=NC(=CS2)C)C)C(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H20N4O2S/c1-10-9-23-16(18-10)20-11(2)6-13(12(20)3)14(21)7-19-5-4-17-15(22)8-19/h6,9H,4-5,7-8H2,1-3H3,(H,17,22)/p+1