dimethyl-[[2-[[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[oxo-[(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[2-[[[(3S)-1-(2-thenoyl)nipecotoyl]amino]methyl]benzyl]ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2CCCN(C2)C(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c1-23(2)14-17-8-4-3-7-16(17)13-22-20(25)18-9-5-11-24(15-18)21(26)19-10-6-12-27-19/h3-4,6-8,10,12,18H,5,9,11,13-15H2,1-2H3,(H,22,25)/p+1/t18-/m0/s1