dimethyl-[[4-[[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[[3-(1-piperidylsulfonyl)benzoyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[(3-piperidin-1-ylsulfonylbenzoyl)amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[[(3-piperidinosulfonylbenzoyl)amino]methyl]benzyl]ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-24(2)17-19-11-9-18(10-12-19)16-23-22(26)20-7-6-8-21(15-20)29(27,28)25-13-4-3-5-14-25/h6-12,15H,3-5,13-14,16-17H2,1-2H3,(H,23,26)/p+1