1-(4-chlorophenyl)-6-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 1-(4-chlorophenyl)-6-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-(4-chlorophenyl)-6-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-oxo-pyridazine-3-carboxamide CAS Name: 1-(4-chlorophenyl)-6-methyl-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-4-oxo-3-pyridazinecarboxamide IUPAC Name: 1-(4-chlorophenyl)-6-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-oxopyridazine-3-carboxamide Traditional Name: 1-(4-chlorophenyl)-4-keto-6-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]pyridazine-3-carboxamide Formula: C21H28ClN4O2+ MolecularWeight: 403.92562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=NN(C(=CC2=O)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=NN(C(=CC2=O)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN4O2/c1-15-6-3-4-12-25(15)13-5-11-23-21(28)20-19(27)14-16(2)26(24-20)18-9-7-17(22)8-10-18/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,23,28)/p+1/t15-/m0/s1