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

Systemtic Name: [1-ethyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-methylpyridine-4-carboxylate Openeye Name: [1-ethyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 3-methylpyridine-4-carboxylate CAS Name: 3-methyl-4-pyridinecarboxylic acid [1-ethyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-ethyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 3-methylpyridine-4-carboxylate Traditional Name: 3-methylisonicotinic acid [1-ethyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC([N+](C1)(C2=NC3=C(C=CC=C3S2)OC)[O-])OC(=O)C4=C(C=NC=C4)C

Isomeric SMILES

CCN1CC([N+](C1)(C2=NC3=C(C=CC=C3S2)OC)[O-])OC(=O)C4=C(C=NC=C4)C

InChI

InChI=1S/C20H22N4O4S/c1-4-23-11-17(28-19(25)14-8-9-21-10-13(14)2)24(26,12-23)20-22-18-15(27-3)6-5-7-16(18)29-20/h5-10,17H,4,11-12H2,1-3H3