[1-hex-5-enyl-3-(5-hexyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-hexylpyridine-3-carboxylate

Systemtic Name: [1-hex-5-enyl-3-(5-hexyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-hexylpyridine-3-carboxylate Openeye Name: [1-hex-5-enyl-3-(5-hexyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 4-hexylpyridine-3-carboxylate CAS Name: 4-hexyl-3-pyridinecarboxylic acid [1-hex-5-enyl-3-(5-hexyl-1,3-benzothiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-hex-5-enyl-3-(5-hexyl-1,3-benzothiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 4-hexylpyridine-3-carboxylate Traditional Name: 4-hexylnicotinic acid [1-hex-5-enyl-3-(5-hexyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C34H48N4O3S MolecularWeight: 592.83492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3OC(=O)C4=C(C=CN=C4)CCCCCC)CCCCC=C)[O-]

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3OC(=O)C4=C(C=CN=C4)CCCCCC)CCCCC=C)[O-]

InChI

InChI=1S/C34H48N4O3S/c1-4-7-10-13-16-27-18-19-31-30(23-27)36-34(42-31)38(40)26-37(22-15-12-9-6-3)25-32(38)41-33(39)29-24-35-21-20-28(29)17-14-11-8-5-2/h6,18-21,23-24,32H,3-5,7-17,22,25-26H2,1-2H3