(3R)-1-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-ium

Systemtic Name: (3R)-1-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-ium Openeye Name: (3R)-1-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-ium CAS Name: (3R)-1-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-3-(1-pyrrolidin-1-iumylmethyl)piperidin-1-ium IUPAC Name: (3R)-1-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-ium Traditional Name: (3R)-1-[(3-benzyl-2-esyl-imidazol-4-yl)methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-ium Formula: C23H36N4O2S+2 MolecularWeight: 432.62254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCCC(C3)C[NH+]4CCCC4

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)C[NH+]4CCCC4

InChI

InChI=1S/C23H34N4O2S/c1-2-30(28,29)23-24-15-22(27(23)18-20-9-4-3-5-10-20)19-26-14-8-11-21(17-26)16-25-12-6-7-13-25/h3-5,9-10,15,21H,2,6-8,11-14,16-19H2,1H3/p+2/t21-/m1/s1