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

Systemtic Name: (3S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-3-(methoxymethyl)piperidin-1-ium Openeye Name: (3S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-3-(methoxymethyl)piperidin-1-ium CAS Name: (3S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-4-imidazolyl]methyl]-3-(methoxymethyl)piperidin-1-ium IUPAC Name: (3S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-(methoxymethyl)piperidin-1-ium Traditional Name: (3S)-1-[[3-(cyclohexylmethyl)-2-mesyl-imidazol-4-yl]methyl]-3-(methoxymethyl)piperidin-1-ium Formula: C19H34N3O3S+ MolecularWeight: 384.55656

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCC[NH+](C1)CC2=CN=C(N2CC3CCCCC3)S(=O)(=O)C

Isomeric SMILES

COC[C@H]1CCC[NH+](C1)CC2=CN=C(N2CC3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C19H33N3O3S/c1-25-15-17-9-6-10-21(12-17)14-18-11-20-19(26(2,23)24)22(18)13-16-7-4-3-5-8-16/h11,16-17H,3-10,12-15H2,1-2H3/p+1/t17-/m0/s1