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

Systemtic Name: dimethyl-[[2-[[(1-thiophen-2-ylcarbonylpiperidin-4-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[oxo-[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[2-[[[1-(2-thenoyl)isonipecotoyl]amino]methyl]benzyl]ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

InChI

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