1'-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]spiro[indene-1,4'-piperidin-1-ium]

Systemtic Name: 1'-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]spiro[indene-1,4'-piperidin-1-ium] Openeye Name: 1'-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]spiro[indene-1,4'-piperidin-1-ium] CAS Name: 1'-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]spiro[indene-1,4'-piperidin-1-ium] IUPAC Name: 1'-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]spiro[indene-1,4'-piperidin-1-ium] Traditional Name: 1'-[(3-butyl-2-esyl-imidazol-4-yl)methyl]spiro[indene-1,4'-piperidin-1-ium] Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCC3(CC2)C=CC4=CC=CC=C34

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCC3(CC2)C=CC4=CC=CC=C34

InChI

InChI=1S/C23H31N3O2S/c1-3-5-14-26-20(17-24-22(26)29(27,28)4-2)18-25-15-12-23(13-16-25)11-10-19-8-6-7-9-21(19)23/h6-11,17H,3-5,12-16,18H2,1-2H3/p+1