1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-phenyl-piperidin-1-ium-4-ol

Systemtic Name: 1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-phenyl-piperidin-1-ium-4-ol Openeye Name: 1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-phenyl-piperidin-1-ium-4-ol CAS Name: 1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-phenyl-4-piperidin-1-iumol IUPAC Name: 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-4-phenylpiperidin-1-ium-4-ol Traditional Name: 1-[[3-(cyclohexylmethyl)-2-mesyl-imidazol-4-yl]methyl]-4-phenyl-piperidin-1-ium-4-ol Formula: C23H34N3O3S+ MolecularWeight: 432.59936

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CC2CCCCC2)C[NH+]3CCC(CC3)(C4=CC=CC=C4)O

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CC2CCCCC2)C[NH+]3CCC(CC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C23H33N3O3S/c1-30(28,29)22-24-16-21(26(22)17-19-8-4-2-5-9-19)18-25-14-12-23(27,13-15-25)20-10-6-3-7-11-20/h3,6-7,10-11,16,19,27H,2,4-5,8-9,12-15,17-18H2,1H3/p+1