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

Systemtic Name: 4-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-keto-ethyl]piperazin-4-ium-2-one Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H20N4O3/c1-10-6-13(12(3)20(10)15-7-11(2)23-18-15)14(21)8-19-5-4-17-16(22)9-19/h6-7H,4-5,8-9H2,1-3H3,(H,17,22)/p+1