N-[6-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-4-oxo-butyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide CAS Name: N-[6-[[4-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-4-oxobutyl]thio]-3-pyridazinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-4-oxobutyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[[4-keto-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]butyl]thio]pyridazin-3-yl]thiophene-2-carboxamide Formula: C20H28N5O2S2+ MolecularWeight: 434.59862

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H27N5O2S2/c1-24-11-9-15(10-12-24)25(2)19(26)6-4-14-29-18-8-7-17(22-23-18)21-20(27)16-5-3-13-28-16/h3,5,7-8,13,15H,4,6,9-12,14H2,1-2H3,(H,21,22,27)/p+1