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

Systemtic Name: N-[2-oxidanylidene-2-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethylamino]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[2-(4-benzylpiperidin-1-ium-1-yl)ethylamino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[2-oxo-2-[2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethylamino]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[2-(4-benzylpiperidin-1-ium-1-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[2-[2-(4-benzylpiperidin-1-ium-1-yl)ethylamino]-2-keto-ethyl]thiophene-2-carboxamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CCNC(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CCNC(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c25-20(16-23-21(26)19-7-4-14-27-19)22-10-13-24-11-8-18(9-12-24)15-17-5-2-1-3-6-17/h1-7,14,18H,8-13,15-16H2,(H,22,25)(H,23,26)/p+1