dimethyl-[[4-[[(1-thiophen-2-ylcarbonylpiperidin-4-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[[(1-thiophen-2-ylcarbonylpiperidin-4-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[[oxo-[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[[[1-(2-thenoyl)isonipecotoyl]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=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

InChI

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