[(3R)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-(1-methylimidazol-2-yl)methanone

Systemtic Name: [(3R)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-(1-methylimidazol-2-yl)methanone Openeye Name: [(3R)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-(1-methylimidazol-2-yl)methanone CAS Name: [(3R)-1-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-3-piperidin-1-iumyl]-(1-methyl-2-imidazolyl)methanone IUPAC Name: [(3R)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-3-yl]-(1-methylimidazol-2-yl)methanone Traditional Name: [(3R)-1-[(3-butyl-2-esyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-(1-methylimidazol-2-yl)methanone Formula: C20H32N5O3S+ MolecularWeight: 422.56478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCCC(C2)C(=O)C3=NC=CN3C

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCC[C@H](C2)C(=O)C3=NC=CN3C

InChI

InChI=1S/C20H31N5O3S/c1-4-6-11-25-17(13-22-20(25)29(27,28)5-2)15-24-10-7-8-16(14-24)18(26)19-21-9-12-23(19)3/h9,12-13,16H,4-8,10-11,14-15H2,1-3H3/p+1/t16-/m1/s1