[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-methyl-azanium

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-methyl-azanium Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl]-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]-methyl-ammonium CAS Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-methylammonium IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-methylazanium Traditional Name: [2-(2,6-dimethylanilino)-2-keto-ethyl]-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]-methyl-ammonium Formula: C26H36N5O3S+ MolecularWeight: 498.66074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+](C)CC(=O)NC4=C(C=CC=C4C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+](C)CC(=O)NC4=C(C=CC=C4C)C

InChI

InChI=1S/C26H35N5O3S/c1-5-31-23-13-12-21(35(33,34)30-14-7-6-8-15-30)16-22(23)27-24(31)17-29(4)18-25(32)28-26-19(2)10-9-11-20(26)3/h9-13,16H,5-8,14-15,17-18H2,1-4H3,(H,28,32)/p+1