dimethyl-[(2S)-1-phenyl-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]propan-2-yl]azanium

Systemtic Name: dimethyl-[(2S)-1-phenyl-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]amino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-[[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-phenyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[[1-(3-pyridylsulfonyl)isonipecotoyl]amino]ethyl]-dimethyl-ammonium Formula: C22H31N4O3S+ MolecularWeight: 431.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3S/c1-25(2)20(15-18-7-4-3-5-8-18)16-24-22(27)19-10-13-26(14-11-19)30(28,29)21-9-6-12-23-17-21/h3-9,12,17,19-20H,10-11,13-16H2,1-2H3,(H,24,27)/p+1/t20-/m0/s1