2-[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanoylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanoylamino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]ethyl]ammonium CAS Name: 2-[[2-[2-(methylsulfonylmethyl)-1-benzimidazolyl]-1-oxoethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[[2-[2-(mesylmethyl)benzimidazol-1-yl]acetyl]amino]ethyl]ammonium Formula: C19H31N4O3S+ MolecularWeight: 395.53944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)CN1C2=CC=CC=C2N=C1CS(=O)(=O)C)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)CN1C2=CC=CC=C2N=C1CS(=O)(=O)C)C(C)C

InChI

InChI=1S/C19H30N4O3S/c1-14(2)22(15(3)4)11-10-20-19(24)12-23-17-9-7-6-8-16(17)21-18(23)13-27(5,25)26/h6-9,14-15H,10-13H2,1-5H3,(H,20,24)/p+1