ethyl 4-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3-butyl-2-esyl-imidazol-4-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H31N4O4S+ MolecularWeight: 387.51744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C17H30N4O4S/c1-4-7-8-21-15(13-18-16(21)26(23,24)6-3)14-19-9-11-20(12-10-19)17(22)25-5-2/h13H,4-12,14H2,1-3H3/p+1