2-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxamide Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC=C1C2=CC=CC=C2)CC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

C1C[NH+](CC=C1C2=CC=CC=C2)CC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C18H19N3O2S/c19-17(23)15-8-11-24-18(15)20-16(22)12-21-9-6-14(7-10-21)13-4-2-1-3-5-13/h1-6,8,11H,7,9-10,12H2,(H2,19,23)(H,20,22)/p+1