N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]thiophene-2-carboxamide

Systemtic Name: N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]thiophene-2-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]thiophene-2-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]thiophene-2-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]thiophene-2-carboxamide Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CS2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CS2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2S/c22-17(19-14-5-2-1-3-6-14)13-21-10-8-15(9-11-21)20-18(23)16-7-4-12-24-16/h1-7,12,15H,8-11,13H2,(H,19,22)(H,20,23)/p+1