[1-but-3-enyl-3-(6-butyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-butylpyridine-4-carboxylate

Systemtic Name: [1-but-3-enyl-3-(6-butyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-butylpyridine-4-carboxylate Openeye Name: [1-but-3-enyl-3-(6-butyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 3-butylpyridine-4-carboxylate CAS Name: 3-butyl-4-pyridinecarboxylic acid [1-but-3-enyl-3-(6-butyl-1,3-benzothiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-but-3-enyl-3-(6-butyl-1,3-benzothiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 3-butylpyridine-4-carboxylate Traditional Name: 3-butylisonicotinic acid [1-but-3-enyl-3-(6-butyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C28H36N4O3S MolecularWeight: 508.67544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)[N+]3(CN(CC3OC(=O)C4=C(C=NC=C4)CCCC)CCC=C)[O-]

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)[N+]3(CN(CC3OC(=O)C4=C(C=NC=C4)CCCC)CCC=C)[O-]

InChI

InChI=1S/C28H36N4O3S/c1-4-7-10-21-12-13-24-25(17-21)36-28(30-24)32(34)20-31(16-9-6-3)19-26(32)35-27(33)23-14-15-29-18-22(23)11-8-5-2/h6,12-15,17-18,26H,3-5,7-11,16,19-20H2,1-2H3