4-[[(3S)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[(3S)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]morpholin-4-ium Openeye Name: 4-[[(3S)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]morpholin-4-ium CAS Name: 4-[[(3S)-1-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-3-piperidin-1-iumyl]methyl]morpholin-4-ium IUPAC Name: 4-[[(3S)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]morpholin-4-ium Traditional Name: 4-[[(3S)-1-[(3-butyl-2-esyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]morpholin-4-ium Formula: C20H38N4O3S+2 MolecularWeight: 414.60572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCCC(C2)C[NH+]3CCOCC3

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCC[C@@H](C2)C[NH+]3CCOCC3

InChI

InChI=1S/C20H36N4O3S/c1-3-5-9-24-19(14-21-20(24)28(25,26)4-2)17-23-8-6-7-18(16-23)15-22-10-12-27-13-11-22/h14,18H,3-13,15-17H2,1-2H3/p+2/t18-/m1/s1