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

Systemtic Name: 1-[(3S)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-3-yl]ethanone Openeye Name: 1-[(3S)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-3-yl]ethanone CAS Name: 1-[(3S)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-3-piperidin-1-iumyl]ethanone IUPAC Name: 1-[(3S)-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-1-ium-3-yl]ethanone Traditional Name: 1-[(3S)-1-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]ethanone Formula: C16H28N3O4S+ MolecularWeight: 358.47622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC[NH+](C1)CC2=CN=C(N2CCCOC)S(=O)(=O)C

Isomeric SMILES

CC(=O)[C@H]1CCC[NH+](C1)CC2=CN=C(N2CCCOC)S(=O)(=O)C

InChI

InChI=1S/C16H27N3O4S/c1-13(20)14-6-4-7-18(11-14)12-15-10-17-16(24(3,21)22)19(15)8-5-9-23-2/h10,14H,4-9,11-12H2,1-3H3/p+1/t14-/m0/s1