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

Systemtic Name: 1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-(2-methoxyphenoxy)piperidin-1-ium Openeye Name: 1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-(2-methoxyphenoxy)piperidin-1-ium CAS Name: 1-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-4-(2-methoxyphenoxy)piperidin-1-ium IUPAC Name: 1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)piperidin-1-ium Traditional Name: 1-[(3-butyl-2-esyl-imidazol-4-yl)methyl]-4-(2-methoxyphenoxy)piperidin-1-ium Formula: C22H34N3O4S+ MolecularWeight: 436.58806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCC(CC2)OC3=CC=CC=C3OC

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCC(CC2)OC3=CC=CC=C3OC

InChI

InChI=1S/C22H33N3O4S/c1-4-6-13-25-18(16-23-22(25)30(26,27)5-2)17-24-14-11-19(12-15-24)29-21-10-8-7-9-20(21)28-3/h7-10,16,19H,4-6,11-15,17H2,1-3H3/p+1