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

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide Traditional Name: 6-keto-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide Formula: C25H31N4O3S+ MolecularWeight: 467.60364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C25H30N4O3S/c1-19-11-13-28(14-12-19)22(23-8-5-17-33-23)18-26-25(31)21-9-10-24(30)29(27-21)15-16-32-20-6-3-2-4-7-20/h2-10,17,19,22H,11-16,18H2,1H3,(H,26,31)/p+1/t22-/m1/s1