N-[2-(3-methylpyridin-2-yl)ethyl]-5-[(2S)-1-propan-2-ylpyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[2-(3-methylpyridin-2-yl)ethyl]-5-[(2S)-1-propan-2-ylpyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-isopropylpyrrolidin-1-ium-2-yl]-N-[2-(3-methyl-2-pyridyl)ethyl]thiophene-2-carboxamide CAS Name: N-[2-(3-methyl-2-pyridinyl)ethyl]-5-[(2S)-1-propan-2-yl-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[2-(3-methylpyridin-2-yl)ethyl]-5-[(2S)-1-propan-2-ylpyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-isopropylpyrrolidin-1-ium-2-yl]-N-[2-(3-methyl-2-pyridyl)ethyl]thiophene-2-carboxamide Formula: C20H28N3OS+ MolecularWeight: 358.52082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CCNC(=O)C2=CC=C(S2)C3CCC[NH+]3C(C)C

Isomeric SMILES

CC1=C(N=CC=C1)CCNC(=O)C2=CC=C(S2)[C@@H]3CCC[NH+]3C(C)C

InChI

InChI=1S/C20H27N3OS/c1-14(2)23-13-5-7-17(23)18-8-9-19(25-18)20(24)22-12-10-16-15(3)6-4-11-21-16/h4,6,8-9,11,14,17H,5,7,10,12-13H2,1-3H3,(H,22,24)/p+1/t17-/m0/s1