6-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-2-oxidanylidene-N-(thiophen-3-ylmethyl)-1H-pyridine-3-carboxamide

Systemtic Name: 6-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-2-oxidanylidene-N-(thiophen-3-ylmethyl)-1H-pyridine-3-carboxamide Openeye Name: 6-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-2-oxo-N-(3-thienylmethyl)-1H-pyridine-3-carboxamide CAS Name: 6-[[(3S)-3-[diethylamino(oxo)methyl]-1-piperidin-1-iumyl]methyl]-2-oxo-N-(3-thiophenylmethyl)-1H-pyridine-3-carboxamide IUPAC Name: 6-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-2-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-3-carboxamide Traditional Name: 6-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-2-keto-N-(3-thenyl)-1H-pyridine-3-carboxamide Formula: C22H31N4O3S+ MolecularWeight: 431.57154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CSC=C3

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CSC=C3

InChI

InChI=1S/C22H30N4O3S/c1-3-26(4-2)22(29)17-6-5-10-25(13-17)14-18-7-8-19(21(28)24-18)20(27)23-12-16-9-11-30-15-16/h7-9,11,15,17H,3-6,10,12-14H2,1-2H3,(H,23,27)(H,24,28)/p+1/t17-/m0/s1