[1-butyl-3-oxidanidyl-3-(5-pentylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 4-pentylpyridine-2-carboxylate

Systemtic Name: [1-butyl-3-oxidanidyl-3-(5-pentylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 4-pentylpyridine-2-carboxylate Openeye Name: [1-butyl-3-oxido-3-(5-pentylsulfonylthiazol-2-yl)imidazolidin-3-ium-4-yl] 4-pentylpyridine-2-carboxylate CAS Name: 4-pentyl-2-pyridinecarboxylic acid [1-butyl-3-oxido-3-(5-pentylsulfonyl-2-thiazolyl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-butyl-3-oxido-3-(5-pentylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 4-pentylpyridine-2-carboxylate Traditional Name: 4-amylpicolinic acid [3-(5-amylsulfonylthiazol-2-yl)-1-butyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C26H40N4O5S2 MolecularWeight: 552.7496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=NC=C1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)S(=O)(=O)CCCCC)[O-])CCCC

Isomeric SMILES

CCCCCC1=CC(=NC=C1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)S(=O)(=O)CCCCC)[O-])CCCC

InChI

InChI=1S/C26H40N4O5S2/c1-4-7-10-12-21-13-14-27-22(17-21)25(31)35-23-19-29(15-9-6-3)20-30(23,32)26-28-18-24(36-26)37(33,34)16-11-8-5-2/h13-14,17-18,23H,4-12,15-16,19-20H2,1-3H3