methyl-(phenylmethyl)-[3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]propyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O3S/c1-25(18-19-7-3-2-4-8-19)14-6-13-24-22(27)20-10-15-26(16-11-20)30(28,29)21-9-5-12-23-17-21/h2-5,7-9,12,17,20H,6,10-11,13-16,18H2,1H3,(H,24,27)/p+1