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

Systemtic Name: 1-[[(3S)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[(3S)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]pyrrolidin-2-one CAS Name: 1-[[(3S)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-3-piperidin-1-iumyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[(3S)-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[(3S)-1-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]-2-pyrrolidone Formula: C19H33N4O4S+ MolecularWeight: 413.55472

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCCC(C2)CN3CCCC3=O

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC[C@H](C2)CN3CCCC3=O

InChI

InChI=1S/C19H32N4O4S/c1-27-11-5-10-23-17(12-20-19(23)28(2,25)26)15-21-8-3-6-16(13-21)14-22-9-4-7-18(22)24/h12,16H,3-11,13-15H2,1-2H3/p+1/t16-/m1/s1