[1-but-3-enyl-3-oxidanidyl-3-(6-prop-2-enyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] nonanoate

Systemtic Name: [1-but-3-enyl-3-oxidanidyl-3-(6-prop-2-enyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] nonanoate Openeye Name: [3-(6-allyl-1,3-benzothiazol-2-yl)-1-but-3-enyl-3-oxido-imidazolidin-3-ium-4-yl] nonanoate CAS Name: nonanoic acid [1-but-3-enyl-3-oxido-3-(6-prop-2-enyl-1,3-benzothiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-but-3-enyl-3-oxido-3-(6-prop-2-enyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] nonanoate Traditional Name: pelargonic acid [3-(6-allyl-1,3-benzothiazol-2-yl)-1-but-3-enyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C26H37N3O3S MolecularWeight: 471.65528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1CN(C[N+]1(C2=NC3=C(S2)C=C(C=C3)CC=C)[O-])CCC=C

Isomeric SMILES

CCCCCCCCC(=O)OC1CN(C[N+]1(C2=NC3=C(S2)C=C(C=C3)CC=C)[O-])CCC=C

InChI

InChI=1S/C26H37N3O3S/c1-4-7-9-10-11-12-14-25(30)32-24-19-28(17-8-5-2)20-29(24,31)26-27-22-16-15-21(13-6-3)18-23(22)33-26/h5-6,15-16,18,24H,2-4,7-14,17,19-20H2,1H3