[1-ethyl-3-(4-ethyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] propanoate

Systemtic Name: [1-ethyl-3-(4-ethyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] propanoate Openeye Name: [1-ethyl-3-(4-ethyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] propanoate CAS Name: propanoic acid [1-ethyl-3-(4-ethyl-1,3-benzothiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-ethyl-3-(4-ethyl-1,3-benzothiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] propanoate Traditional Name: propionic acid [1-ethyl-3-(4-ethyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)[N+]3(CN(CC3OC(=O)CC)CC)[O-]

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)[N+]3(CN(CC3OC(=O)CC)CC)[O-]

InChI

InChI=1S/C17H23N3O3S/c1-4-12-8-7-9-13-16(12)18-17(24-13)20(22)11-19(6-3)10-14(20)23-15(21)5-2/h7-9,14H,4-6,10-11H2,1-3H3