[1-hexyl-3-oxidanidyl-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] 2-propylpyridine-3-carboxylate

Systemtic Name: [1-hexyl-3-oxidanidyl-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] 2-propylpyridine-3-carboxylate Openeye Name: [1-hexyl-3-oxido-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] 2-propylpyridine-3-carboxylate CAS Name: 2-propyl-3-pyridinecarboxylic acid [1-hexyl-3-oxido-3-(5-propyl-1,3-benzothiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-hexyl-3-oxido-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] 2-propylpyridine-3-carboxylate Traditional Name: 2-propylnicotinic acid [1-hexyl-3-oxido-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] ester Formula: C28H38N4O3S MolecularWeight: 510.69132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC([N+](C1)(C2=NC3=C(S2)C=CC(=C3)CCC)[O-])OC(=O)C4=C(N=CC=C4)CCC

Isomeric SMILES

CCCCCCN1CC([N+](C1)(C2=NC3=C(S2)C=CC(=C3)CCC)[O-])OC(=O)C4=C(N=CC=C4)CCC

InChI

InChI=1S/C28H38N4O3S/c1-4-7-8-9-17-31-19-26(35-27(33)22-13-10-16-29-23(22)12-6-3)32(34,20-31)28-30-24-18-21(11-5-2)14-15-25(24)36-28/h10,13-16,18,26H,4-9,11-12,17,19-20H2,1-3H3