[3-(5-butylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-propyl-imidazolidin-3-ium-4-yl] 4-butylpyridine-2-carboxylate

Systemtic Name: [3-(5-butylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-propyl-imidazolidin-3-ium-4-yl] 4-butylpyridine-2-carboxylate Openeye Name: [3-(5-butylsulfonylthiazol-2-yl)-3-oxido-1-propyl-imidazolidin-3-ium-4-yl] 4-butylpyridine-2-carboxylate CAS Name: 4-butyl-2-pyridinecarboxylic acid [3-(5-butylsulfonyl-2-thiazolyl)-3-oxido-1-propyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-butylsulfonyl-1,3-thiazol-2-yl)-3-oxido-1-propylimidazolidin-3-ium-4-yl] 4-butylpyridine-2-carboxylate Traditional Name: 4-butylpicolinic acid [3-(5-butylsulfonylthiazol-2-yl)-3-oxido-1-propyl-imidazolidin-3-ium-4-yl] ester Formula: C23H34N4O5S2 MolecularWeight: 510.66986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NC=C1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)S(=O)(=O)CCCC)[O-])CCC

Isomeric SMILES

CCCCC1=CC(=NC=C1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)S(=O)(=O)CCCC)[O-])CCC

InChI

InChI=1S/C23H34N4O5S2/c1-4-7-9-18-10-11-24-19(14-18)22(28)32-20-16-26(12-6-3)17-27(20,29)23-25-15-21(33-23)34(30,31)13-8-5-2/h10-11,14-15,20H,4-9,12-13,16-17H2,1-3H3