[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-[(E)-hex-4-enyl]benzoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-[(E)-hex-4-enyl]benzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4-[(E)-hex-4-enyl]benzoate CAS Name: 4-[(E)-hex-4-enyl]benzoic acid [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 4-[(E)-hex-4-enyl]benzoate Traditional Name: 4-[(E)-hex-4-enyl]benzoic acid [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCCC1=CC=C(C=C1)C(=O)OC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

Isomeric SMILES

C/C=C/CCCC1=CC=C(C=C1)C(=O)OC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

InChI

InChI=1S/C24H27N3O3S/c1-3-4-5-6-9-18-12-14-19(15-13-18)23(28)30-22-16-26(2)17-27(22,29)24-25-20-10-7-8-11-21(20)31-24/h3-4,7-8,10-15,22H,5-6,9,16-17H2,1-2H3/b4-3+