N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-1-(2-thenoyl)isonipecotamide Formula: C21H29N4O2S2+ MolecularWeight: 433.61056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H28N4O2S2/c1-15-4-2-8-24(12-15)13-17-14-29-21(22-17)23-19(26)16-6-9-25(10-7-16)20(27)18-5-3-11-28-18/h3,5,11,14-16H,2,4,6-10,12-13H2,1H3,(H,22,23,26)/p+1/t15-/m0/s1