[1-butyl-3-(6-butyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] pentanoate

Systemtic Name: [1-butyl-3-(6-butyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] pentanoate Openeye Name: [1-butyl-3-(6-butyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] pentanoate CAS Name: pentanoic acid [1-butyl-3-(6-butyl-1,3-benzothiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-butyl-3-(6-butyl-1,3-benzothiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] pentanoate Traditional Name: valeric acid [1-butyl-3-(6-butyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C23H35N3O3S MolecularWeight: 433.6073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)[N+]3(CN(CC3OC(=O)CCCC)CCCC)[O-]

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)[N+]3(CN(CC3OC(=O)CCCC)CCCC)[O-]

InChI

InChI=1S/C23H35N3O3S/c1-4-7-10-18-12-13-19-20(15-18)30-23(24-19)26(28)17-25(14-9-6-3)16-21(26)29-22(27)11-8-5-2/h12-13,15,21H,4-11,14,16-17H2,1-3H3