1-methyl-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl]-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 1-methyl-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl]-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-methyl-N-[(4S)-1'-methylspiro[chromane-2,4'-piperidin-1-ium]-4-yl]-6-oxo-pyridazine-3-carboxamide CAS Name: 1-methyl-N-[(4S)-1'-methyl-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidin-1-ium]yl]-6-oxo-3-pyridazinecarboxamide IUPAC Name: 1-methyl-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl]-6-oxopyridazine-3-carboxamide Traditional Name: 6-keto-1-methyl-N-[(4S)-1'-methylspiro[chroman-2,4'-piperidin-1-ium]-4-yl]pyridazine-3-carboxamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2(CC1)CC(C3=CC=CC=C3O2)NC(=O)C4=NN(C(=O)C=C4)C

Isomeric SMILES

C[NH+]1CCC2(CC1)C[C@@H](C3=CC=CC=C3O2)NC(=O)C4=NN(C(=O)C=C4)C

InChI

InChI=1S/C20H24N4O3/c1-23-11-9-20(10-12-23)13-16(14-5-3-4-6-17(14)27-20)21-19(26)15-7-8-18(25)24(2)22-15/h3-8,16H,9-13H2,1-2H3,(H,21,26)/p+1/t16-/m0/s1