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

Systemtic Name: dimethyl-[[4-[[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[[[1-(2-thienylsulfonyl)isonipecotoyl]amino]methyl]benzyl]ammonium Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S2/c1-22(2)15-17-7-5-16(6-8-17)14-21-20(24)18-9-11-23(12-10-18)28(25,26)19-4-3-13-27-19/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,21,24)/p+1