N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C20H28N4OS+2 MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=CC=C(S2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

C1C[C@@H]([NH2+]C1)C2=CC=C(S2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C20H26N4OS/c25-20(19-7-6-18(26-19)17-5-3-11-22-17)23-15-8-12-24(13-9-15)14-16-4-1-2-10-21-16/h1-2,4,6-7,10,15,17,22H,3,5,8-9,11-14H2,(H,23,25)/p+2/t17-/m1/s1