1-(2-methoxyethyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 1-(2-methoxyethyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-(2-methoxyethyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-6-oxo-pyridazine-3-carboxamide CAS Name: 1-(2-methoxyethyl)-N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-6-oxo-3-pyridazinecarboxamide IUPAC Name: 1-(2-methoxyethyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-6-oxopyridazine-3-carboxamide Traditional Name: 6-keto-1-(2-methoxyethyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]pyridazine-3-carboxamide Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=NN(C(=O)C=C2)CCOC)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](CNC(=O)C2=NN(C(=O)C=C2)CCOC)C3=CC=CS3

InChI

InChI=1S/C20H28N4O3S/c1-15-7-9-23(10-8-15)17(18-4-3-13-28-18)14-21-20(26)16-5-6-19(25)24(22-16)11-12-27-2/h3-6,13,15,17H,7-12,14H2,1-2H3,(H,21,26)/p+1/t17-/m0/s1