1-[1-azanyl-1-[2-[1-(1-ethylsulfonylpiperidin-3-yl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[1-azanyl-1-[2-[1-(1-ethylsulfonylpiperidin-3-yl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[1-amino-1-[2-[1-(1-ethylsulfonyl-3-piperidyl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[1-amino-1-[2-[1-(1-ethylsulfonyl-3-piperidinyl)ethylamino]-4-pyrimidinyl]-5-benzimidazol-1-iumyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[1-amino-1-[2-[1-(1-ethylsulfonylpiperidin-3-yl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[1-amino-1-[2-[1-(1-esyl-3-piperidyl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-2,2-dimethyl-propan-1-one Formula: C25H36N7O3S+ MolecularWeight: 514.66344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCCC(C1)C(C)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)C(C)(C)C)N

Isomeric SMILES

CCS(=O)(=O)N1CCCC(C1)C(C)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)C(C)(C)C)N

InChI

InChI=1S/C25H36N7O3S/c1-6-36(34,35)31-13-7-8-19(15-31)17(2)29-24-27-12-11-22(30-24)32(26)16-28-20-14-18(9-10-21(20)32)23(33)25(3,4)5/h9-12,14,16-17,19H,6-8,13,15,26H2,1-5H3,(H,27,29,30)/q+1