[3-oxidanidyl-1-propyl-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] butanoate

Systemtic Name: [3-oxidanidyl-1-propyl-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] butanoate Openeye Name: [3-oxido-1-propyl-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] butanoate CAS Name: butanoic acid [3-oxido-1-propyl-3-(5-propyl-1,3-benzothiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-oxido-1-propyl-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] butanoate Traditional Name: butyric acid [3-oxido-1-propyl-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] ester Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3OC(=O)CCC)CCC)[O-]

Isomeric SMILES

CCCC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3OC(=O)CCC)CCC)[O-]

InChI

InChI=1S/C20H29N3O3S/c1-4-7-15-9-10-17-16(12-15)21-20(27-17)23(25)14-22(11-6-3)13-18(23)26-19(24)8-5-2/h9-10,12,18H,4-8,11,13-14H2,1-3H3