N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxamide

Systemtic Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxamide Openeye Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide CAS Name: N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide IUPAC Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide Traditional Name: 6-keto-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2S/c1-15-6-5-11-25(12-15)13-16-14-29-21(22-16)23-20(28)18-9-10-19(27)26(24-18)17-7-3-2-4-8-17/h2-4,7-8,14-15H,5-6,9-13H2,1H3,(H,22,23,28)/p+1/t15-/m0/s1