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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCC(CC3)[NH+]4CCCCC4

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCC(CC3)[NH+]4CCCCC4

InChI

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