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

Systemtic Name: (3S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-4-imidazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[3-(cyclohexylmethyl)-2-mesyl-imidazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C18H31N4O3S+ MolecularWeight: 383.52874

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CC2CCCCC2)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CC2CCCCC2)C[NH+]3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C18H30N4O3S/c1-26(24,25)18-20-10-16(22(18)11-14-6-3-2-4-7-14)13-21-9-5-8-15(12-21)17(19)23/h10,14-15H,2-9,11-13H2,1H3,(H2,19,23)/p+1/t15-/m0/s1