[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[(1-indan-5-ylsulfonylpiperidine-4-carbonyl)amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[(1-indan-5-ylsulfonylisonipecotoyl)amino]methyl]benzyl]-dimethyl-ammonium Formula: C25H34N3O3S+ MolecularWeight: 456.62076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C25H33N3O3S/c1-27(2)18-20-8-6-19(7-9-20)17-26-25(29)22-12-14-28(15-13-22)32(30,31)24-11-10-21-4-3-5-23(21)16-24/h6-11,16,22H,3-5,12-15,17-18H2,1-2H3,(H,26,29)/p+1