[3-oxidanidyl-1-pent-4-enyl-3-(7-pentyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] 4-pentylpyridine-2-carboxylate

Systemtic Name: [3-oxidanidyl-1-pent-4-enyl-3-(7-pentyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] 4-pentylpyridine-2-carboxylate Openeye Name: [3-oxido-1-pent-4-enyl-3-(7-pentyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] 4-pentylpyridine-2-carboxylate CAS Name: 4-pentyl-2-pyridinecarboxylic acid [3-oxido-1-pent-4-enyl-3-(7-pentyl-1,3-benzothiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-oxido-1-pent-4-enyl-3-(7-pentyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] 4-pentylpyridine-2-carboxylate Traditional Name: 4-amylpicolinic acid [3-(7-amyl-1,3-benzothiazol-2-yl)-3-oxido-1-pent-4-enyl-imidazolidin-3-ium-4-yl] ester Formula: C31H42N4O3S MolecularWeight: 550.75518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=NC=C1)C(=O)OC2CN(C[N+]2(C3=NC4=CC=CC(=C4S3)CCCCC)[O-])CCCC=C

Isomeric SMILES

CCCCCC1=CC(=NC=C1)C(=O)OC2CN(C[N+]2(C3=NC4=CC=CC(=C4S3)CCCCC)[O-])CCCC=C

InChI

InChI=1S/C31H42N4O3S/c1-4-7-10-14-24-18-19-32-27(21-24)30(36)38-28-22-34(20-12-9-6-3)23-35(28,37)31-33-26-17-13-16-25(29(26)39-31)15-11-8-5-2/h6,13,16-19,21,28H,3-5,7-12,14-15,20,22-23H2,1-2H3