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

Systemtic Name: 1-[(3S)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]ethanone Openeye Name: 1-[(3S)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]ethanone CAS Name: 1-[(3S)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)-4-imidazolyl]methyl]-3-piperidin-1-iumyl]ethanone IUPAC Name: 1-[(3S)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]ethanone Traditional Name: 1-[(3S)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]ethanone Formula: C20H34N3O4S+ MolecularWeight: 412.56666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC[NH+](C1)CC2=CN=C(N2CCCOC)S(=O)(=O)C3CCCC3

Isomeric SMILES

CC(=O)[C@H]1CCC[NH+](C1)CC2=CN=C(N2CCCOC)S(=O)(=O)C3CCCC3

InChI

InChI=1S/C20H33N3O4S/c1-16(24)17-7-5-10-22(14-17)15-18-13-21-20(23(18)11-6-12-27-2)28(25,26)19-8-3-4-9-19/h13,17,19H,3-12,14-15H2,1-2H3/p+1/t17-/m0/s1