[1-hex-5-ynyl-3-oxidanidyl-3-(5-pentoxy-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] pyridine-2-carboxylate

Systemtic Name: [1-hex-5-ynyl-3-oxidanidyl-3-(5-pentoxy-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] pyridine-2-carboxylate Openeye Name: [1-hex-5-ynyl-3-oxido-3-(5-pentoxy-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [1-hex-5-ynyl-3-oxido-3-(5-pentoxy-1,3-benzothiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-hex-5-ynyl-3-oxido-3-(5-pentoxy-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] pyridine-2-carboxylate Traditional Name: picolinic acid [3-(5-amoxy-1,3-benzothiazol-2-yl)-1-hex-5-ynyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C27H32N4O4S MolecularWeight: 508.63238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3OC(=O)C4=CC=CC=N4)CCCCC#C)[O-]

Isomeric SMILES

CCCCCOC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3OC(=O)C4=CC=CC=N4)CCCCC#C)[O-]

InChI

InChI=1S/C27H32N4O4S/c1-3-5-7-10-16-30-19-25(35-26(32)22-12-8-9-15-28-22)31(33,20-30)27-29-23-18-21(13-14-24(23)36-27)34-17-11-6-4-2/h1,8-9,12-15,18,25H,4-7,10-11,16-17,19-20H2,2H3