3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2-pyridin-4-yl-2H-pyrrol-4-olate

Systemtic Name: 3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2-pyridin-4-yl-2H-pyrrol-4-olate Openeye Name: 3-(2,4-dimethylthiazole-5-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-(4-pyridyl)-2H-pyrrol-4-olate CAS Name: 3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-pyridin-4-yl-2H-pyrrol-4-olate IUPAC Name: 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-pyridin-4-yl-2H-pyrrol-4-olate Traditional Name: 4-(2,4-dimethylthiazole-5-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-5-(4-pyridyl)-3-pyrrolin-3-olate Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=NC=C3)CCC[N+]4=CNC=C4)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=NC=C3)CCC[N+]4=CNC=C4)[O-]

InChI

InChI=1S/C21H21N5O3S/c1-13-20(30-14(2)24-13)18(27)16-17(15-4-6-22-7-5-15)26(21(29)19(16)28)10-3-9-25-11-8-23-12-25/h4-8,11-12,17H,3,9-10H2,1-2H3,(H,27,28)