1-[(3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]propan-1-one

Systemtic Name: 1-[(3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-[(3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]propan-1-one CAS Name: 1-[(3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-[(3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-[(3S)-1-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]propan-1-one Formula: C23H34N3O3S+ MolecularWeight: 432.59936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CCC[NH+](C1)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)CC

Isomeric SMILES

CCC(=O)[C@H]1CCC[NH+](C1)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)CC

InChI

InChI=1S/C23H33N3O3S/c1-3-22(27)20-13-9-14-25(17-20)18-21-16-24-23(30(28,29)4-2)26(21)15-8-12-19-10-6-5-7-11-19/h5-7,10-11,16,20H,3-4,8-9,12-15,17-18H2,1-2H3/p+1/t20-/m0/s1