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

Systemtic Name: (3R)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-3-phenyl-piperidin-1-ium Openeye Name: (3R)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-3-phenyl-piperidin-1-ium CAS Name: (3R)-1-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-3-phenylpiperidin-1-ium IUPAC Name: (3R)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-3-phenylpiperidin-1-ium Traditional Name: (3R)-1-[(3-butyl-2-esyl-imidazol-4-yl)methyl]-3-phenyl-piperidin-1-ium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O2S/c1-3-5-14-24-20(15-22-21(24)27(25,26)4-2)17-23-13-9-12-19(16-23)18-10-7-6-8-11-18/h6-8,10-11,15,19H,3-5,9,12-14,16-17H2,1-2H3/p+1/t19-/m0/s1