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

Systemtic Name: 2-[2-[(2S)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]ethyl]pyridine Openeye Name: 2-[2-[(2S)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]ethyl]pyridine CAS Name: 2-[2-[(2S)-1-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-2-piperidin-1-iumyl]ethyl]pyridine IUPAC Name: 2-[2-[(2S)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-2-yl]ethyl]pyridine Traditional Name: 2-[2-[(2S)-1-[(3-butyl-2-esyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]ethyl]pyridine Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCCCC2CCC3=CC=CC=N3

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCCC[C@H]2CCC3=CC=CC=N3

InChI

InChI=1S/C22H34N4O2S/c1-3-5-16-26-21(17-24-22(26)29(27,28)4-2)18-25-15-9-7-11-20(25)13-12-19-10-6-8-14-23-19/h6,8,10,14,17,20H,3-5,7,9,11-13,15-16,18H2,1-2H3/p+1/t20-/m0/s1