[3-oxidanidyl-1-pentyl-3-(5-pentyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] pentanoate

Systemtic Name: [3-oxidanidyl-1-pentyl-3-(5-pentyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] pentanoate Openeye Name: [3-oxido-1-pentyl-3-(5-pentyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] pentanoate CAS Name: pentanoic acid [3-oxido-1-pentyl-3-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-oxido-1-pentyl-3-(5-pentyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] pentanoate Traditional Name: valeric acid [1-amyl-3-(5-amyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H36N4O3S MolecularWeight: 412.58984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)[N+]2(CN(CC2OC(=O)CCCC)CCCCC)[O-]

Isomeric SMILES

CCCCCC1=NN=C(S1)[N+]2(CN(CC2OC(=O)CCCC)CCCCC)[O-]

InChI

InChI=1S/C20H36N4O3S/c1-4-7-10-12-17-21-22-20(28-17)24(26)16-23(14-11-8-5-2)15-18(24)27-19(25)13-9-6-3/h18H,4-16H2,1-3H3