[3-(4-but-3-enyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-[(E)-pent-3-enyl]imidazolidin-3-ium-4-yl] dodecanoate

Systemtic Name: [3-(4-but-3-enyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-[(E)-pent-3-enyl]imidazolidin-3-ium-4-yl] dodecanoate Openeye Name: [3-(4-but-3-enyl-1,3-benzothiazol-2-yl)-3-oxido-1-[(E)-pent-3-enyl]imidazolidin-3-ium-4-yl] dodecanoate CAS Name: dodecanoic acid [3-(4-but-3-enyl-1,3-benzothiazol-2-yl)-3-oxido-1-[(E)-pent-3-enyl]-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(4-but-3-enyl-1,3-benzothiazol-2-yl)-3-oxido-1-[(E)-pent-3-enyl]imidazolidin-3-ium-4-yl] dodecanoate Traditional Name: lauric acid [3-(4-but-3-enyl-1,3-benzothiazol-2-yl)-3-oxido-1-[(E)-pent-3-enyl]imidazolidin-3-ium-4-yl] ester Formula: C31H47N3O3S MolecularWeight: 541.78818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1CN(C[N+]1(C2=NC3=C(C=CC=C3S2)CCC=C)[O-])CCC=CC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1CN(C[N+]1(C2=NC3=C(C=CC=C3S2)CCC=C)[O-])CC/C=C/C

InChI

InChI=1S/C31H47N3O3S/c1-4-7-10-11-12-13-14-15-16-22-29(35)37-28-24-33(23-17-8-5-2)25-34(28,36)31-32-30-26(19-9-6-3)20-18-21-27(30)38-31/h5-6,8,18,20-21,28H,3-4,7,9-17,19,22-25H2,1-2H3/b8-5+